5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide

C15H10BrN3OS — CID 46439802

IUPAC5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)s1
InChIInChI=1S/C15H10BrN3OS/c16-13-7-6-12(21-13)15(20)19-11-8-17-14(18-9-11)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyHHRBCXTZVIEJFN-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.22
Rot. Bonds3

About 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide

5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 46439802) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID46439802
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC Name5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)s1
InChIInChI=1S/C15H10BrN3OS/c16-13-7-6-12(21-13)15(20)19-11-8-17-14(18-9-11)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyHHRBCXTZVIEJFN-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
CID 27692565
5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide
CID 1246451
5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide
CID 18293102
5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 61222679
N,5-diphenylthiophene-2-carboxamide
CID 3746437
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
5-bromo-N-(2-bromo-3-pyridinyl)thiophene-2-carboxamide
CID 103819443
5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide
CID 103756307
5-bromo-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 56786334
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide (CID 46439802) is 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide is O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is HHRBCXTZVIEJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-13-7-6-12(21-13)15(20)19-11-8-17-14(18-9-11)10-4-2-1-3-5-10/h1-9H,(H,19,20).
What are the key properties of 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide?
5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 360.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 46439802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).