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

C24H25N5O3S — CID 53100826

IUPAC2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(OC)cc4)s3)c2C)cc1
InChIInChI=1S/C24H25N5O3S/c1-5-32-20-12-8-18(9-13-20)29-16(3)21(27-28-29)24-26-15(2)22(33-24)23(30)25-14-17-6-10-19(31-4)11-7-17/h6-13H,5,14H2,1-4H3,(H,25,30)
InChIKeyFEKPOTKXBHVCOS-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.34
Rot. Bonds8

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

2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53100826) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53100826
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(OC)cc4)s3)c2C)cc1
InChIInChI=1S/C24H25N5O3S/c1-5-32-20-12-8-18(9-13-20)29-16(3)21(27-28-29)24-26-15(2)22(33-24)23(30)25-14-17-6-10-19(31-4)11-7-17/h6-13H,5,14H2,1-4H3,(H,25,30)
InChIKeyFEKPOTKXBHVCOS-UHFFFAOYSA-N
XLogP4.34
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53100811
N-[(2S)-butan-2-yl]-2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95082040
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
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100716
[2-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53100753
N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 53100729
2-(4-methoxyphenyl)-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24550651
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53100845
5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 17014891

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 53100826) is 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(OC)cc4)s3)c2C)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FEKPOTKXBHVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-5-32-20-12-8-18(9-13-20)29-16(3)21(27-28-29)24-26-15(2)22(33-24)23(30)25-14-17-6-10-19(31-4)11-7-17/h6-13H,5,14H2,1-4H3,(H,25,30).
What are the key properties of 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53100826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).