4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide

C12H12BrN3OS — CID 2970304

IUPAC4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nccc(C)n2)cc1Br
InChIInChI=1S/C12H12BrN3OS/c1-3-9-8(13)6-10(18-9)11(17)16-12-14-5-4-7(2)15-12/h4-6H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyGOMJJBHJTRSDQU-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.42
Rot. Bonds3

About 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide

4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide (PubChem CID 2970304) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide
PubChem CID2970304
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nccc(C)n2)cc1Br
InChIInChI=1S/C12H12BrN3OS/c1-3-9-8(13)6-10(18-9)11(17)16-12-14-5-4-7(2)15-12/h4-6H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyGOMJJBHJTRSDQU-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
CID 35522845
4-bromo-5-ethylthiophene-2-carboxylate
CID 7019239
4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 17174163
4-chloro-5-ethyl-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 130283556
4-bromo-N-(1,2-oxazol-3-yl)-5-propylthiophene-2-carboxamide
CID 17250146
5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide
CID 79999578
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
2-ethoxy-N-(4-methylpyrimidin-2-yl)acetamide
CID 7336905
4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 6481030
5-ethyl-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393539
4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-methylthiophene-2-carboxamide
CID 114386648
2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114037403

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide (CID 2970304) is 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide is CCc1sc(C(=O)Nc2nccc(C)n2)cc1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide?
The InChIKey is GOMJJBHJTRSDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-3-9-8(13)6-10(18-9)11(17)16-12-14-5-4-7(2)15-12/h4-6H,3H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide?
4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2970304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).