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

C9H7BrN2OS2 — CID 2442289

IUPAC5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C9H7BrN2OS2/c1-5-4-14-9(11-5)12-8(13)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12,13)
InChIKeyZXHNNRCADPSNDK-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.53
Rot. Bonds2

About 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 2442289) has the molecular formula C9H7BrN2OS2 and a molecular weight of 303.21 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID2442289
Molecular FormulaC9H7BrN2OS2
Molecular Weight303.21 g/mol
Exact Mass301.92
IUPAC Name5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C9H7BrN2OS2/c1-5-4-14-9(11-5)12-8(13)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12,13)
InChIKeyZXHNNRCADPSNDK-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

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 854410
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 1225713
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 786375
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1246066
5-ethyl-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2438682
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2458204
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide
CID 1247280
N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamide
CID 2449811
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 734129
N-(4-tert-Butyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 574261
Ethyl 2-[2-(thiophene-2-amido)-1,3-thiazol-4-yl]acetate
CID 702932
5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 1245777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 2442289) is 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is Cc1csc(NC(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ZXHNNRCADPSNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS2/c1-5-4-14-9(11-5)12-8(13)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
5-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 5-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2442289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).