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

C20H29N3OS — CID 91085515

IUPAC2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(C)CCNC(=O)c1sc(CCc2cc(C)cc(C)c2)nc1C
InChIInChI=1S/C20H29N3OS/c1-6-23(5)10-9-21-20(24)19-16(4)22-18(25-19)8-7-17-12-14(2)11-15(3)13-17/h11-13H,6-10H2,1-5H3,(H,21,24)
InChIKeyJUNVJSLTZGIODA-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.54
Rot. Bonds8

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

2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91085515) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID91085515
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(C)CCNC(=O)c1sc(CCc2cc(C)cc(C)c2)nc1C
InChIInChI=1S/C20H29N3OS/c1-6-23(5)10-9-21-20(24)19-16(4)22-18(25-19)8-7-17-12-14(2)11-15(3)13-17/h11-13H,6-10H2,1-5H3,(H,21,24)
InChIKeyJUNVJSLTZGIODA-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-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

4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389441
N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753393
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
2-benzyl-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 35534310
N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
CID 110341948
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 90725818
2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 49324825
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 91085515) is 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCN(C)CCNC(=O)c1sc(CCc2cc(C)cc(C)c2)nc1C.
What is the InChIKey of 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JUNVJSLTZGIODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-6-23(5)10-9-21-20(24)19-16(4)22-18(25-19)8-7-17-12-14(2)11-15(3)13-17/h11-13H,6-10H2,1-5H3,(H,21,24).
What are the key properties of 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenyl)ethyl]-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91085515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).