N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide

C21H25N5OS — CID 53100720

IUPACN-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NC1CCCCCC1
InChIInChI=1S/C21H25N5OS/c1-14-19(20(27)23-16-10-6-3-4-7-11-16)28-21(22-14)18-15(2)26(25-24-18)17-12-8-5-9-13-17/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3,(H,23,27)
InChIKeyHDRICWXUVWGPOS-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.46
Rot. Bonds4

About N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide

N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 53100720) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID53100720
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NC1CCCCCC1
InChIInChI=1S/C21H25N5OS/c1-14-19(20(27)23-16-10-6-3-4-7-11-16)28-21(22-14)18-15(2)26(25-24-18)17-12-8-5-9-13-17/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3,(H,23,27)
InChIKeyHDRICWXUVWGPOS-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 53100729
4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100716
2-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53337949
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 53100816
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-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
5-amino-N-cyclohexyl-1-phenyltriazole-4-carboxamide
CID 6498288
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18157740

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide (CID 53100720) is N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HDRICWXUVWGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-14-19(20(27)23-16-10-6-3-4-7-11-16)28-21(22-14)18-15(2)26(25-24-18)17-12-8-5-9-13-17/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3,(H,23,27).
What are the key properties of N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide?
N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53100720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).