N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide

C21H25N5OS — CID 53100729

IUPACN-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCCC4)s3)c2C)cc1
InChIInChI=1S/C21H25N5OS/c1-13-9-11-17(12-10-13)26-15(3)18(24-25-26)21-22-14(2)19(28-21)20(27)23-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,23,27)
InChIKeyOKGUMZDBEJGRDV-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.38
Rot. Bonds4

About N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide

N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 53100729) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID53100729
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCCC4)s3)c2C)cc1
InChIInChI=1S/C21H25N5OS/c1-13-9-11-17(12-10-13)26-15(3)18(24-25-26)21-22-14(2)19(28-21)20(27)23-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,23,27)
InChIKeyOKGUMZDBEJGRDV-UHFFFAOYSA-N
XLogP4.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100720
2-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53337949
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95082033
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
[2-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53100753
N-[(2S)-butan-2-yl]-2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95082040
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53100826
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 53100773
2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 53100816

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide (CID 53100729) is N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide is Cc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCCC4)s3)c2C)cc1.
What is the InChIKey of N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is OKGUMZDBEJGRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-13-9-11-17(12-10-13)26-15(3)18(24-25-26)21-22-14(2)19(28-21)20(27)23-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,23,27).
What are the key properties of N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide?
N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53100729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).