3-chloro-4-cyano-1,2-thiazole-5-carboxamide

C5H2ClN3OS — CID 54212733

IUPAC3-chloro-4-cyano-1,2-thiazole-5-carboxamide
SMILESN#Cc1c(Cl)nsc1C(N)=O
InChIInChI=1S/C5H2ClN3OS/c6-4-2(1-7)3(5(8)10)11-9-4/h(H2,8,10)
InChIKeyPXBHANLZMVKJJK-UHFFFAOYSA-N
MW187.61 g/mol
LogP0.77
Rot. Bonds1

About 3-chloro-4-cyano-1,2-thiazole-5-carboxamide

3-chloro-4-cyano-1,2-thiazole-5-carboxamide (PubChem CID 54212733) has the molecular formula C5H2ClN3OS and a molecular weight of 187.61 g/mol. Its IUPAC name is 3-chloro-4-cyano-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-4-cyano-1,2-thiazole-5-carboxamide
PubChem CID54212733
Molecular FormulaC5H2ClN3OS
Molecular Weight187.61 g/mol
Exact Mass186.96
IUPAC Name3-chloro-4-cyano-1,2-thiazole-5-carboxamide
SMILESN#Cc1c(Cl)nsc1C(N)=O
InChIInChI=1S/C5H2ClN3OS/c6-4-2(1-7)3(5(8)10)11-9-4/h(H2,8,10)
InChIKeyPXBHANLZMVKJJK-UHFFFAOYSA-N
XLogP0.77
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.61
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-chloro-4-cyano-1,2-thiazole-5-carboxamide (CID 54212733) is 3-chloro-4-cyano-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-chloro-4-cyano-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-chloro-4-cyano-1,2-thiazole-5-carboxamide is N#Cc1c(Cl)nsc1C(N)=O.
What is the InChIKey of 3-chloro-4-cyano-1,2-thiazole-5-carboxamide?
The InChIKey is PXBHANLZMVKJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3OS/c6-4-2(1-7)3(5(8)10)11-9-4/h(H2,8,10).
What are the key properties of 3-chloro-4-cyano-1,2-thiazole-5-carboxamide?
3-chloro-4-cyano-1,2-thiazole-5-carboxamide has a molecular weight of 187.61 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 54212733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).