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

C19H23N5OS — CID 53100716

IUPAC4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NCCC(C)C
InChIInChI=1S/C19H23N5OS/c1-12(2)10-11-20-18(25)17-13(3)21-19(26-17)16-14(4)24(23-22-16)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3,(H,20,25)
InChIKeyBDTNJRVWUOILHY-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.78
Rot. Bonds6

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

4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 53100716) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID53100716
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NCCC(C)C
InChIInChI=1S/C19H23N5OS/c1-12(2)10-11-20-18(25)17-13(3)21-19(26-17)16-14(4)24(23-22-16)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3,(H,20,25)
InChIKeyBDTNJRVWUOILHY-UHFFFAOYSA-N
XLogP3.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100720
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 53100816
2-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53337949
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[5-methyl-1-(3-methylsulfanylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 50819268
N-[(2S)-butan-2-yl]-2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95082040
N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53100811
2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53100845
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-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 53100729
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95082033

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide (CID 53100716) is 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NCCC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is BDTNJRVWUOILHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-12(2)10-11-20-18(25)17-13(3)21-19(26-17)16-14(4)24(23-22-16)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3,(H,20,25).
What are the key properties of 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53100716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).