N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide

C17H17ClN6OS — CID 166252442

IUPACN-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnsc2Cl)c1)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C17H17ClN6OS/c18-16-15(21-23-26-16)11-5-4-6-12(9-11)19-17(25)14-10-24(22-20-14)13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,19,25)
InChIKeyLPNDCHILFWIVDZ-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.21
Rot. Bonds4

About N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide

N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide (PubChem CID 166252442) has the molecular formula C17H17ClN6OS and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide
PubChem CID166252442
Molecular FormulaC17H17ClN6OS
Molecular Weight388.88 g/mol
Exact Mass388.09
IUPAC NameN-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnsc2Cl)c1)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C17H17ClN6OS/c18-16-15(21-23-26-16)11-5-4-6-12(9-11)19-17(25)14-10-24(22-20-14)13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,19,25)
InChIKeyLPNDCHILFWIVDZ-UHFFFAOYSA-N
XLogP4.21
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119708561
N-[3-(1,3-oxazol-5-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119399827
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-[3-(cyclopentylsulfanylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119801054
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763582
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
N-[3-(2-oxopiperidin-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724501
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide?
The IUPAC name of N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide (CID 166252442) is N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide?
The canonical SMILES for N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide is O=C(Nc1cccc(-c2nnsc2Cl)c1)c1cn(C2CCCCC2)nn1.
What is the InChIKey of N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide?
The InChIKey is LPNDCHILFWIVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6OS/c18-16-15(21-23-26-16)11-5-4-6-12(9-11)19-17(25)14-10-24(22-20-14)13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,19,25).
What are the key properties of N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide?
N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide is sourced from PubChem (CID 166252442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).