MLS-0437605

CAT: 0607-BA8098-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8098-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

862975-18-6

Form

A solid

Molecular Formula

C16H11FN4O2S

Molecular Weight

342.35

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

CAS Number	862975-18-6
PubChem CID	7158830
IUPAC Name	N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Molecular Formula	C16H11FN4O2S
Molecular Weight	342.3
XLogP	4.1
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	427

SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C16H11FN4O2S/c1-22-10-7-5-9(6-8-10)14-20-21-15(23-14)19-16-18-13-11(17)3-2-4-12(13)24-16/h2-8H,1H3,(H,18,19,21)

InChIKey

MJTZAHHYEVPIDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 862975-18-6

CID: 7158830

Formula: C16H11FN4O2S

MW: 342.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.3
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	342.05867494
Monoisotopic Mass	342.05867494
Topological Polar Surface Area	101 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	427
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes