5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide

C15H12BrN3OS — CID 79954389

IUPAC5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)sc1Br
InChIInChI=1S/C15H12BrN3OS/c1-9-6-13(21-14(9)16)15(20)19-11-4-2-10(3-5-11)12-7-17-8-18-12/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyILGQWYHHWWPWQR-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.46
Rot. Bonds3

About 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 79954389) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide
PubChem CID79954389
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)sc1Br
InChIInChI=1S/C15H12BrN3OS/c1-9-6-13(21-14(9)16)15(20)19-11-4-2-10(3-5-11)12-7-17-8-18-12/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyILGQWYHHWWPWQR-UHFFFAOYSA-N
XLogP4.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
CID 79964870
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970
5-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylthiophene-2-carboxamide
CID 103745343
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518337
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 79964276
5-bromo-4-methyl-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 79999376
N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
CID 60666058
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide (CID 79954389) is 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)sc1Br.
What is the InChIKey of 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is ILGQWYHHWWPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-9-6-13(21-14(9)16)15(20)19-11-4-2-10(3-5-11)12-7-17-8-18-12/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79954389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).