N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C24H25N5O2S — CID 53100811

IUPACN-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(CNC(=O)c2sc(-c3nnn(-c4cccc(OC)c4)c3C)nc2C)cc1
InChIInChI=1S/C24H25N5O2S/c1-5-17-9-11-18(12-10-17)14-25-23(30)22-15(2)26-24(32-22)21-16(3)29(28-27-21)19-7-6-8-20(13-19)31-4/h6-13H,5,14H2,1-4H3,(H,25,30)
InChIKeyHOYFLDJZJIAYBV-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.51
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53100811) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53100811
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(CNC(=O)c2sc(-c3nnn(-c4cccc(OC)c4)c3C)nc2C)cc1
InChIInChI=1S/C24H25N5O2S/c1-5-17-9-11-18(12-10-17)14-25-23(30)22-15(2)26-24(32-22)21-16(3)29(28-27-21)19-7-6-8-20(13-19)31-4/h6-13H,5,14H2,1-4H3,(H,25,30)
InChIKeyHOYFLDJZJIAYBV-UHFFFAOYSA-N
XLogP4.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53100826
2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53100845
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[5-methyl-1-(3-methylsulfanylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 50819268
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100716
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55648003
1-(3-methoxyphenyl)-5-methyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]triazole-4-carboxamide
CID 55681282
2-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53337949
N-[(2S)-butan-2-yl]-2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95082040

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 53100811) is N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(CNC(=O)c2sc(-c3nnn(-c4cccc(OC)c4)c3C)nc2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HOYFLDJZJIAYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-5-17-9-11-18(12-10-17)14-25-23(30)22-15(2)26-24(32-22)21-16(3)29(28-27-21)19-7-6-8-20(13-19)31-4/h6-13H,5,14H2,1-4H3,(H,25,30).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53100811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).