5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide

C9H4ClF3N4OS — CID 82812057

IUPAC5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nnc(Cl)s1
InChIInChI=1S/C9H4ClF3N4OS/c10-8-17-16-7(19-8)6(18)15-4-1-2-5(14-3-4)9(11,12)13/h1-3H,(H,15,18)
InChIKeyIOLBOUJCNULRLS-UHFFFAOYSA-N
MW308.67 g/mol
LogP2.86
Rot. Bonds2

About 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 82812057) has the molecular formula C9H4ClF3N4OS and a molecular weight of 308.67 g/mol. Its IUPAC name is 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID82812057
Molecular FormulaC9H4ClF3N4OS
Molecular Weight308.67 g/mol
Exact Mass307.97
IUPAC Name5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nnc(Cl)s1
InChIInChI=1S/C9H4ClF3N4OS/c10-8-17-16-7(19-8)6(18)15-4-1-2-5(14-3-4)9(11,12)13/h1-3H,(H,15,18)
InChIKeyIOLBOUJCNULRLS-UHFFFAOYSA-N
XLogP2.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
2-chloro-5-propan-2-yl-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71710195
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617817
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
CID 82706170
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941
5-chloro-N-(4-fluoro-3-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625004
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide (CID 82812057) is 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IOLBOUJCNULRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N4OS/c10-8-17-16-7(19-8)6(18)15-4-1-2-5(14-3-4)9(11,12)13/h1-3H,(H,15,18).
What are the key properties of 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 308.67 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 82812057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).