4-chlorothiophene-3-carboxamide

C5H4ClNOS — CID 23058085

IUPAC4-chlorothiophene-3-carboxamide
SMILESNC(=O)c1cscc1Cl
InChIInChI=1S/C5H4ClNOS/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H2,7,8)
InChIKeyBMWVMRNRAVINLB-UHFFFAOYSA-N
MW161.61 g/mol
LogP1.50
Rot. Bonds1

About 4-chlorothiophene-3-carboxamide

4-chlorothiophene-3-carboxamide (PubChem CID 23058085) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is 4-chlorothiophene-3-carboxamide.

Molecular Properties

Compound Name4-chlorothiophene-3-carboxamide
PubChem CID23058085
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC Name4-chlorothiophene-3-carboxamide
SMILESNC(=O)c1cscc1Cl
InChIInChI=1S/C5H4ClNOS/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H2,7,8)
InChIKeyBMWVMRNRAVINLB-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-3-carboxamide?
The IUPAC name of 4-chlorothiophene-3-carboxamide (CID 23058085) is 4-chlorothiophene-3-carboxamide.
What is the SMILES notation for 4-chlorothiophene-3-carboxamide?
The canonical SMILES for 4-chlorothiophene-3-carboxamide is NC(=O)c1cscc1Cl.
What is the InChIKey of 4-chlorothiophene-3-carboxamide?
The InChIKey is BMWVMRNRAVINLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H2,7,8).
What are the key properties of 4-chlorothiophene-3-carboxamide?
4-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 4-chlorothiophene-3-carboxamide is sourced from PubChem (CID 23058085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).