2-chlorothiophene-3-carboxamide

C5H4ClNOS — CID 18938140

IUPAC2-chlorothiophene-3-carboxamide
SMILESNC(=O)c1ccsc1Cl
InChIInChI=1S/C5H4ClNOS/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H2,7,8)
InChIKeyGGTBRPBLTXCEJO-UHFFFAOYSA-N
MW161.61 g/mol
LogP1.50
Rot. Bonds1

About 2-chlorothiophene-3-carboxamide

2-chlorothiophene-3-carboxamide (PubChem CID 18938140) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is 2-chlorothiophene-3-carboxamide.

Molecular Properties

Compound Name2-chlorothiophene-3-carboxamide
PubChem CID18938140
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC Name2-chlorothiophene-3-carboxamide
SMILESNC(=O)c1ccsc1Cl
InChIInChI=1S/C5H4ClNOS/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H2,7,8)
InChIKeyGGTBRPBLTXCEJO-UHFFFAOYSA-N
XLogP1.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chlorothiophene-3-carboxamide?
The IUPAC name of 2-chlorothiophene-3-carboxamide (CID 18938140) is 2-chlorothiophene-3-carboxamide.
What is the SMILES notation for 2-chlorothiophene-3-carboxamide?
The canonical SMILES for 2-chlorothiophene-3-carboxamide is NC(=O)c1ccsc1Cl.
What is the InChIKey of 2-chlorothiophene-3-carboxamide?
The InChIKey is GGTBRPBLTXCEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H2,7,8).
What are the key properties of 2-chlorothiophene-3-carboxamide?
2-chlorothiophene-3-carboxamide has a molecular weight of 161.61 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorothiophene-3-carboxamide is sourced from PubChem (CID 18938140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).