1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide

C15H15ClN6OS — CID 9151580

IUPAC1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nnn(-c3cc(Cl)ccc3C)c2C)s1
InChIInChI=1S/C15H15ClN6OS/c1-4-12-18-20-15(24-12)17-14(23)13-9(3)22(21-19-13)11-7-10(16)6-5-8(11)2/h5-7H,4H2,1-3H3,(H,17,20,23)
InChIKeyNCUMDQBMHFKYCB-UHFFFAOYSA-N
MW362.85 g/mol
LogP3.20
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide

1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide (PubChem CID 9151580) has the molecular formula C15H15ClN6OS and a molecular weight of 362.85 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide
PubChem CID9151580
Molecular FormulaC15H15ClN6OS
Molecular Weight362.85 g/mol
Exact Mass362.07
IUPAC Name1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nnn(-c3cc(Cl)ccc3C)c2C)s1
InChIInChI=1S/C15H15ClN6OS/c1-4-12-18-20-15(24-12)17-14(23)13-9(3)22(21-19-13)11-7-10(16)6-5-8(11)2/h5-7H,4H2,1-3H3,(H,17,20,23)
InChIKeyNCUMDQBMHFKYCB-UHFFFAOYSA-N
XLogP3.20
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-chloro-2-methylphenyl)-N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-methyltriazole-4-carboxamide
CID 43837337
N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051
1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
CID 44782567
methyl 2-[[1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 9152403
(3S)-1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 51698555
propyl 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836328
1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 55597205
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 6493805
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
2,4-dichloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 54787210
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119675974
2-(4-chloro-2-methylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2930951

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide (CID 9151580) is 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide is CCc1nnc(NC(=O)c2nnn(-c3cc(Cl)ccc3C)c2C)s1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide?
The InChIKey is NCUMDQBMHFKYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6OS/c1-4-12-18-20-15(24-12)17-14(23)13-9(3)22(21-19-13)11-7-10(16)6-5-8(11)2/h5-7H,4H2,1-3H3,(H,17,20,23).
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide?
1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide has a molecular weight of 362.85 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 9151580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).