3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide

C10H7ClN4OS — CID 126722597

IUPAC3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide
SMILESN#CC1=CC(Cl)(c2cscn2)C(C(N)=O)N=C1
InChIInChI=1S/C10H7ClN4OS/c11-10(7-4-17-5-15-7)1-6(2-12)3-14-8(10)9(13)16/h1,3-5,8H,(H2,13,16)
InChIKeyWKINYFYSVFXXBN-UHFFFAOYSA-N
MW266.71 g/mol
LogP0.97
Rot. Bonds2

About 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide

3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide (PubChem CID 126722597) has the molecular formula C10H7ClN4OS and a molecular weight of 266.71 g/mol. Its IUPAC name is 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide
PubChem CID126722597
Molecular FormulaC10H7ClN4OS
Molecular Weight266.71 g/mol
Exact Mass266.00
IUPAC Name3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide
SMILESN#CC1=CC(Cl)(c2cscn2)C(C(N)=O)N=C1
InChIInChI=1S/C10H7ClN4OS/c11-10(7-4-17-5-15-7)1-6(2-12)3-14-8(10)9(13)16/h1,3-5,8H,(H2,13,16)
InChIKeyWKINYFYSVFXXBN-UHFFFAOYSA-N
XLogP0.97
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide?
The IUPAC name of 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide (CID 126722597) is 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide is N#CC1=CC(Cl)(c2cscn2)C(C(N)=O)N=C1.
What is the InChIKey of 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide?
The InChIKey is WKINYFYSVFXXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4OS/c11-10(7-4-17-5-15-7)1-6(2-12)3-14-8(10)9(13)16/h1,3-5,8H,(H2,13,16).
What are the key properties of 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide?
3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide has a molecular weight of 266.71 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyano-3-(1,3-thiazol-4-yl)-2H-pyridine-2-carboxamide is sourced from PubChem (CID 126722597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).