4-chlorothiophene-2-carboxamide

C5H4ClNOS — CID 22716499

IUPAC4-chlorothiophene-2-carboxamide
SMILESNC(=O)c1cc(Cl)cs1
InChIInChI=1S/C5H4ClNOS/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8)
InChIKeyJXZMYXSGIKGEJA-UHFFFAOYSA-N
MW161.61 g/mol
LogP1.50
Rot. Bonds1

About 4-chlorothiophene-2-carboxamide

4-chlorothiophene-2-carboxamide (PubChem CID 22716499) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is 4-chlorothiophene-2-carboxamide.

Molecular Properties

Compound Name4-chlorothiophene-2-carboxamide
PubChem CID22716499
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC Name4-chlorothiophene-2-carboxamide
SMILESNC(=O)c1cc(Cl)cs1
InChIInChI=1S/C5H4ClNOS/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8)
InChIKeyJXZMYXSGIKGEJA-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 4-chlorothiophene-2-carboxamide?
The IUPAC name of 4-chlorothiophene-2-carboxamide (CID 22716499) is 4-chlorothiophene-2-carboxamide.
What is the SMILES notation for 4-chlorothiophene-2-carboxamide?
The canonical SMILES for 4-chlorothiophene-2-carboxamide is NC(=O)c1cc(Cl)cs1.
What is the InChIKey of 4-chlorothiophene-2-carboxamide?
The InChIKey is JXZMYXSGIKGEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8).
What are the key properties of 4-chlorothiophene-2-carboxamide?
4-chlorothiophene-2-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 4-chlorothiophene-2-carboxamide is sourced from PubChem (CID 22716499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).