4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide

C11H10BrN3O3S — CID 122304110

IUPAC4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide
SMILESCOc1ncc(NC(=O)c2cc(Br)cs2)c(OC)n1
InChIInChI=1S/C11H10BrN3O3S/c1-17-10-7(4-13-11(15-10)18-2)14-9(16)8-3-6(12)5-19-8/h3-5H,1-2H3,(H,14,16)
InChIKeyFHHJTGBKTUXFCV-UHFFFAOYSA-N
MW344.19 g/mol
LogP2.57
Rot. Bonds4

About 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide

4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 122304110) has the molecular formula C11H10BrN3O3S and a molecular weight of 344.19 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID122304110
Molecular FormulaC11H10BrN3O3S
Molecular Weight344.19 g/mol
Exact Mass342.96
IUPAC Name4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide
SMILESCOc1ncc(NC(=O)c2cc(Br)cs2)c(OC)n1
InChIInChI=1S/C11H10BrN3O3S/c1-17-10-7(4-13-11(15-10)18-2)14-9(16)8-3-6(12)5-19-8/h3-5H,1-2H3,(H,14,16)
InChIKeyFHHJTGBKTUXFCV-UHFFFAOYSA-N
XLogP2.57
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
CID 122303930
N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022
N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807571
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
CID 122304064
N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 172855459
N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122304078
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304021
N-(2,4-dimethoxypyrimidin-5-yl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122304138
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110763463
1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
CID 122303962

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide (CID 122304110) is 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide is COc1ncc(NC(=O)c2cc(Br)cs2)c(OC)n1.
What is the InChIKey of 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is FHHJTGBKTUXFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3S/c1-17-10-7(4-13-11(15-10)18-2)14-9(16)8-3-6(12)5-19-8/h3-5H,1-2H3,(H,14,16).
What are the key properties of 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide?
4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 344.19 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 122304110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).