5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide

C9H3BrCl3N3OS — CID 1498983

IUPAC5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nnsc1Br
InChIInChI=1S/C9H3BrCl3N3OS/c10-8-7(15-16-18-8)9(17)14-6-4(12)1-3(11)2-5(6)13/h1-2H,(H,14,17)
InChIKeyHVXNHDOPUCVEDK-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.51
Rot. Bonds2

About 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide

5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide (PubChem CID 1498983) has the molecular formula C9H3BrCl3N3OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide
PubChem CID1498983
Molecular FormulaC9H3BrCl3N3OS
Molecular Weight387.47 g/mol
Exact Mass384.82
IUPAC Name5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nnsc1Br
InChIInChI=1S/C9H3BrCl3N3OS/c10-8-7(15-16-18-8)9(17)14-6-4(12)1-3(11)2-5(6)13/h1-2H,(H,14,17)
InChIKeyHVXNHDOPUCVEDK-UHFFFAOYSA-N
XLogP4.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 43331475
3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
CID 63799545
5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107729693
2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide
CID 43343719
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541
2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide
CID 167943386
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
3-bromo-N-(2,4,6-trichlorophenyl)prop-2-ynamide
CID 130700613
2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 62510533
3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
CID 3457149
(2,4,6-trichlorophenyl)thiourea
CID 2731098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide (CID 1498983) is 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nnsc1Br.
What is the InChIKey of 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide?
The InChIKey is HVXNHDOPUCVEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl3N3OS/c10-8-7(15-16-18-8)9(17)14-6-4(12)1-3(11)2-5(6)13/h1-2H,(H,14,17).
What are the key properties of 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide?
5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1498983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).