3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide

C12H9BrN2OS2 — CID 60778062

IUPAC3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide
SMILESCc1sc(NC(=O)c2sccc2Br)c(C#N)c1C
InChIInChI=1S/C12H9BrN2OS2/c1-6-7(2)18-12(8(6)5-14)15-11(16)10-9(13)3-4-17-10/h3-4H,1-2H3,(H,15,16)
InChIKeySRRAALRUWGKNLM-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.31
Rot. Bonds2

About 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide

3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide (PubChem CID 60778062) has the molecular formula C12H9BrN2OS2 and a molecular weight of 341.26 g/mol. Its IUPAC name is 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide
PubChem CID60778062
Molecular FormulaC12H9BrN2OS2
Molecular Weight341.26 g/mol
Exact Mass339.93
IUPAC Name3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide
SMILESCc1sc(NC(=O)c2sccc2Br)c(C#N)c1C
InChIInChI=1S/C12H9BrN2OS2/c1-6-7(2)18-12(8(6)5-14)15-11(16)10-9(13)3-4-17-10/h3-4H,1-2H3,(H,15,16)
InChIKeySRRAALRUWGKNLM-UHFFFAOYSA-N
XLogP4.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 60778618
4,5-dibromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide
CID 22830462
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
4-(bromomethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 102850904
(2S)-2-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 42352885
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 61252850
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide (CID 60778062) is 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide is Cc1sc(NC(=O)c2sccc2Br)c(C#N)c1C.
What is the InChIKey of 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide?
The InChIKey is SRRAALRUWGKNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2OS2/c1-6-7(2)18-12(8(6)5-14)15-11(16)10-9(13)3-4-17-10/h3-4H,1-2H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide?
3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide has a molecular weight of 341.26 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 60778062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).