4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C9H7BrN2OS2 — CID 110763463

IUPAC4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1csc(NC(=O)c2cc(Br)cs2)n1
InChIInChI=1S/C9H7BrN2OS2/c1-5-3-15-9(11-5)12-8(13)7-2-6(10)4-14-7/h2-4H,1H3,(H,11,12,13)
InChIKeyUAFUNZPQEFREMV-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.53
Rot. Bonds2

About 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 110763463) has the molecular formula C9H7BrN2OS2 and a molecular weight of 303.21 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID110763463
Molecular FormulaC9H7BrN2OS2
Molecular Weight303.21 g/mol
Exact Mass301.92
IUPAC Name4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1csc(NC(=O)c2cc(Br)cs2)n1
InChIInChI=1S/C9H7BrN2OS2/c1-5-3-15-9(11-5)12-8(13)7-2-6(10)4-14-7/h2-4H,1H3,(H,11,12,13)
InChIKeyUAFUNZPQEFREMV-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 110763463) is 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is Cc1csc(NC(=O)c2cc(Br)cs2)n1.
What is the InChIKey of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is UAFUNZPQEFREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS2/c1-5-3-15-9(11-5)12-8(13)7-2-6(10)4-14-7/h2-4H,1H3,(H,11,12,13).
What are the key properties of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 303.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 110763463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).