1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile

C10H6ClN3OS — CID 15767195

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(Cc2cnc(Cl)s2)c1=O
InChIInChI=1S/C10H6ClN3OS/c11-10-13-5-8(16-10)6-14-3-1-2-7(4-12)9(14)15/h1-3,5H,6H2
InChIKeyGURQRFWAYNWJNK-UHFFFAOYSA-N
MW251.70 g/mol
LogP1.88
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 15767195) has the molecular formula C10H6ClN3OS and a molecular weight of 251.70 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID15767195
Molecular FormulaC10H6ClN3OS
Molecular Weight251.70 g/mol
Exact Mass250.99
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(Cc2cnc(Cl)s2)c1=O
InChIInChI=1S/C10H6ClN3OS/c11-10-13-5-8(16-10)6-14-3-1-2-7(4-12)9(14)15/h1-3,5H,6H2
InChIKeyGURQRFWAYNWJNK-UHFFFAOYSA-N
XLogP1.88
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile (CID 15767195) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile is N#Cc1cccn(Cc2cnc(Cl)s2)c1=O.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is GURQRFWAYNWJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3OS/c11-10-13-5-8(16-10)6-14-3-1-2-7(4-12)9(14)15/h1-3,5H,6H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 251.70 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 15767195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).