5-bromo-2-chlorothiophene-3-carboxamide

C5H3BrClNOS — CID 18938094

IUPAC5-bromo-2-chlorothiophene-3-carboxamide
SMILESNC(=O)c1cc(Br)sc1Cl
InChIInChI=1S/C5H3BrClNOS/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H2,8,9)
InChIKeyKHEXSKQEPRORRQ-UHFFFAOYSA-N
MW240.51 g/mol
LogP2.26
Rot. Bonds1

About 5-bromo-2-chlorothiophene-3-carboxamide

5-bromo-2-chlorothiophene-3-carboxamide (PubChem CID 18938094) has the molecular formula C5H3BrClNOS and a molecular weight of 240.51 g/mol. Its IUPAC name is 5-bromo-2-chlorothiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chlorothiophene-3-carboxamide
PubChem CID18938094
Molecular FormulaC5H3BrClNOS
Molecular Weight240.51 g/mol
Exact Mass238.88
IUPAC Name5-bromo-2-chlorothiophene-3-carboxamide
SMILESNC(=O)c1cc(Br)sc1Cl
InChIInChI=1S/C5H3BrClNOS/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H2,8,9)
InChIKeyKHEXSKQEPRORRQ-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromothiophene-3-carboxamide
CID 18938063
2-Bromothiophene-3-carboxamide
CID 18938142
5-Bromo-2-fluorothiophene-3-carboxamide
CID 121229198
2,5-Dichlorothiophene-3-carboxamide
CID 17804711
5-bromo-2-chloro-N-diaminophosphorylthiophene-3-carboxamide
CID 18938075
2-Chlorothiophene-3-carboxamide
CID 18938140
2-bromo-5-chloro-N-diaminophosphorylthiophene-3-carboxamide
CID 57189191
2,5-Dibromothiophene-3-carboxamide
CID 72183119
2-Bromo-5-chlorothiophene-3-carboxamide
CID 90264681
5-Chloro-2-methylbromanuidylthiophene-3-carboxamide
CID 153247222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chlorothiophene-3-carboxamide?
The IUPAC name of 5-bromo-2-chlorothiophene-3-carboxamide (CID 18938094) is 5-bromo-2-chlorothiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chlorothiophene-3-carboxamide?
The canonical SMILES for 5-bromo-2-chlorothiophene-3-carboxamide is NC(=O)c1cc(Br)sc1Cl.
What is the InChIKey of 5-bromo-2-chlorothiophene-3-carboxamide?
The InChIKey is KHEXSKQEPRORRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNOS/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H2,8,9).
What are the key properties of 5-bromo-2-chlorothiophene-3-carboxamide?
5-bromo-2-chlorothiophene-3-carboxamide has a molecular weight of 240.51 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chlorothiophene-3-carboxamide is sourced from PubChem (CID 18938094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).