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

C24H25N5O2S — CID 53100816

IUPAC2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC(C)c4ccccc4)s3)c2C)cc1
InChIInChI=1S/C24H25N5O2S/c1-5-31-20-13-11-19(12-14-20)29-17(4)21(27-28-29)24-26-16(3)22(32-24)23(30)25-15(2)18-9-7-6-8-10-18/h6-15H,5H2,1-4H3,(H,25,30)
InChIKeyXGYUEKDNTHFZJM-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.90
Rot. Bonds7

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

2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53100816) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID53100816
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC(C)c4ccccc4)s3)c2C)cc1
InChIInChI=1S/C24H25N5O2S/c1-5-31-20-13-11-19(12-14-20)29-17(4)21(27-28-29)24-26-16(3)22(32-24)23(30)25-15(2)18-9-7-6-8-10-18/h6-15H,5H2,1-4H3,(H,25,30)
InChIKeyXGYUEKDNTHFZJM-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53100826
4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100716
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100720
1-(4-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 95091553
2-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53337949
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
2-[(3,4-dimethylphenoxy)methyl]-4-methyl-N-[(1S)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 97047072
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 53100729

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide (CID 53100816) is 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide is CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC(C)c4ccccc4)s3)c2C)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XGYUEKDNTHFZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-5-31-20-13-11-19(12-14-20)29-17(4)21(27-28-29)24-26-16(3)22(32-24)23(30)25-15(2)18-9-7-6-8-10-18/h6-15H,5H2,1-4H3,(H,25,30).
What are the key properties of 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide?
2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53100816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).