RKI-1313 5mg

CAT: 0628-A10899-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A10899-5Size:5 mg

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

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CAS Number

1342276-76-9

Chemical Information

1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea

CAS Number	1342276-76-9
PubChem CID	53492330
IUPAC Name	1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
Molecular Formula	C17H16N4O2S
Molecular Weight	340.4
XLogP	2.3
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	406

SMILES

COC1=CC=CC(=C1)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4O2S/c1-23-14-4-2-3-12(9-14)10-19-16(22)21-17-20-15(11-24-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22)

InChIKey

BDCUKYUIVYKXCQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1342276-76-9

CID: 53492330

Formula: C17H16N4O2S

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	340.09939694
Monoisotopic Mass	340.09939694
Topological Polar Surface Area	104 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	406
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

Catalog	Name
BA4498-1	RKI-1313
A3771-50	RKI-1447