N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C26H33N3OS — CID 70831549

IUPACN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2ccc(-c3nc(C)c(C(=O)N(CC)CCN(C)CC)s3)cc2)cc1
InChIInChI=1S/C26H33N3OS/c1-6-20-9-11-21(12-10-20)22-13-15-23(16-14-22)25-27-19(4)24(31-25)26(30)29(8-3)18-17-28(5)7-2/h9-16H,6-8,17-18H2,1-5H3
InChIKeyNZMFUNLMRNVSRU-UHFFFAOYSA-N
MW435.64 g/mol
LogP5.76
Rot. Bonds9

About N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 70831549) has the molecular formula C26H33N3OS and a molecular weight of 435.64 g/mol. Its IUPAC name is N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID70831549
Molecular FormulaC26H33N3OS
Molecular Weight435.64 g/mol
Exact Mass435.23
IUPAC NameN-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2ccc(-c3nc(C)c(C(=O)N(CC)CCN(C)CC)s3)cc2)cc1
InChIInChI=1S/C26H33N3OS/c1-6-20-9-11-21(12-10-20)22-13-15-23(16-14-22)25-27-19(4)24(31-25)26(30)29(8-3)18-17-28(5)7-2/h9-16H,6-8,17-18H2,1-5H3
InChIKeyNZMFUNLMRNVSRU-UHFFFAOYSA-N
XLogP5.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.64
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-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-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 59338646
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
CID 143281454
N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46563245
2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 143445165
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86824226
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855413
N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 134015239
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 70831549) is N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2ccc(-c3nc(C)c(C(=O)N(CC)CCN(C)CC)s3)cc2)cc1.
What is the InChIKey of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NZMFUNLMRNVSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3OS/c1-6-20-9-11-21(12-10-20)22-13-15-23(16-14-22)25-27-19(4)24(31-25)26(30)29(8-3)18-17-28(5)7-2/h9-16H,6-8,17-18H2,1-5H3.
What are the key properties of N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 435.64 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-[4-(4-ethylphenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70831549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).