2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide

C20H22N2O2S2 — CID 93480458

IUPAC2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(OCc2nc(C)c(C(=O)N[C@@H](C)c3cccs3)s2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-4-15-7-9-16(10-8-15)24-12-18-21-14(3)19(26-18)20(23)22-13(2)17-6-5-11-25-17/h5-11,13H,4,12H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyGDNDUOAFXZUDCL-ZDUSSCGKSA-N
MW386.54 g/mol
LogP5.15
Rot. Bonds7

About 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide

2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 93480458) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide
PubChem CID93480458
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(OCc2nc(C)c(C(=O)N[C@@H](C)c3cccs3)s2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-4-15-7-9-16(10-8-15)24-12-18-21-14(3)19(26-18)20(23)22-13(2)17-6-5-11-25-17/h5-11,13H,4,12H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyGDNDUOAFXZUDCL-ZDUSSCGKSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-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

2-[(3,4-dimethylphenoxy)methyl]-4-methyl-N-[(1S)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 97047072
2-[(4-ethylphenoxy)methyl]-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 20894880
2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 24515088
(2R)-2-[[2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119368687
2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24639532
N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612943
2-[(3,4-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50746395
5-(phenoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 33465538
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N-(1-amino-4-methylpentan-2-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119585509
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide (CID 93480458) is 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide is CCc1ccc(OCc2nc(C)c(C(=O)N[C@@H](C)c3cccs3)s2)cc1.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GDNDUOAFXZUDCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-4-15-7-9-16(10-8-15)24-12-18-21-14(3)19(26-18)20(23)22-13(2)17-6-5-11-25-17/h5-11,13H,4,12H2,1-3H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide?
2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 93480458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).