4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide

C13H7Br2ClN4OS — CID 31527323

IUPAC4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H7Br2ClN4OS/c14-8-4-11(22-12(8)15)13(21)19-9-3-7(16)1-2-10(9)20-6-17-5-18-20/h1-6H,(H,19,21)
InChIKeyRLLWXHHNWVFMAK-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.76
Rot. Bonds3

About 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide

4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 31527323) has the molecular formula C13H7Br2ClN4OS and a molecular weight of 462.55 g/mol. Its IUPAC name is 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID31527323
Molecular FormulaC13H7Br2ClN4OS
Molecular Weight462.55 g/mol
Exact Mass459.84
IUPAC Name4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H7Br2ClN4OS/c14-8-4-11(22-12(8)15)13(21)19-9-3-7(16)1-2-10(9)20-6-17-5-18-20/h1-6H,(H,19,21)
InChIKeyRLLWXHHNWVFMAK-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527286
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 31402196
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
CID 16549214
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,5-dinitrobenzamide
CID 55337238
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 78808953
2-bromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 62855749
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55687015
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 125433118
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 9204418

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (CID 31527323) is 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is RLLWXHHNWVFMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN4OS/c14-8-4-11(22-12(8)15)13(21)19-9-3-7(16)1-2-10(9)20-6-17-5-18-20/h1-6H,(H,19,21).
What are the key properties of 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31527323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).