3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

C9H5Cl3N4OS — CID 16551109

IUPAC3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCc1nnc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)s1
InChIInChI=1S/C9H5Cl3N4OS/c1-3-15-16-9(18-3)14-8(17)7-6(12)5(11)4(10)2-13-7/h2H,1H3,(H,14,16,17)
InChIKeyBXMUAVYCHLKTMG-UHFFFAOYSA-N
MW323.59 g/mol
LogP3.45
Rot. Bonds2

About 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 16551109) has the molecular formula C9H5Cl3N4OS and a molecular weight of 323.59 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
PubChem CID16551109
Molecular FormulaC9H5Cl3N4OS
Molecular Weight323.59 g/mol
Exact Mass321.92
IUPAC Name3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCc1nnc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)s1
InChIInChI=1S/C9H5Cl3N4OS/c1-3-15-16-9(18-3)14-8(17)7-6(12)5(11)4(10)2-13-7/h2H,1H3,(H,14,16,17)
InChIKeyBXMUAVYCHLKTMG-UHFFFAOYSA-N
XLogP3.45
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 16548056
5,6-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4848107
3,4,5-trichloro-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 8714296
3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 103975385
4-[(3,4,5-trichloropyridine-2-carbonyl)amino]benzoic acid
CID 43238498
6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115599468
3,5-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18848688
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 139221869
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 115577507
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (CID 16551109) is 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is Cc1nnc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)s1.
What is the InChIKey of 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is BXMUAVYCHLKTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4OS/c1-3-15-16-9(18-3)14-8(17)7-6(12)5(11)4(10)2-13-7/h2H,1H3,(H,14,16,17).
What are the key properties of 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 323.59 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 16551109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).