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

C9H7BrN2OS2 — CID 164647541

IUPAC4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESCc1csc(NC(=O)c2cscc2Br)n1
InChIInChI=1S/C9H7BrN2OS2/c1-5-2-15-9(11-5)12-8(13)6-3-14-4-7(6)10/h2-4H,1H3,(H,11,12,13)
InChIKeyTZIAFYMJKTVRQV-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.53
Rot. Bonds2

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

4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide (PubChem CID 164647541) 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-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
PubChem CID164647541
Molecular FormulaC9H7BrN2OS2
Molecular Weight303.21 g/mol
Exact Mass301.92
IUPAC Name4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESCc1csc(NC(=O)c2cscc2Br)n1
InChIInChI=1S/C9H7BrN2OS2/c1-5-2-15-9(11-5)12-8(13)6-3-14-4-7(6)10/h2-4H,1H3,(H,11,12,13)
InChIKeyTZIAFYMJKTVRQV-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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Related Compounds

2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 164647538
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110763463
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 19439782
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 110766253
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3-bromo-N-(4-methyl-1,3-thiazol-2-yl)prop-2-ynamide
CID 130643691
4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
CID 164656698

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide (CID 164647541) is 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide is Cc1csc(NC(=O)c2cscc2Br)n1.
What is the InChIKey of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is TZIAFYMJKTVRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS2/c1-5-2-15-9(11-5)12-8(13)6-3-14-4-7(6)10/h2-4H,1H3,(H,11,12,13).
What are the key properties of 4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-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-3-carboxamide is sourced from PubChem (CID 164647541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).