[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

C19H25N3OS — CID 59337873

IUPAC[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2sc(-c3cc(C)ccc3C)nc2C)CC1
InChIInChI=1S/C19H25N3OS/c1-5-21-8-10-22(11-9-21)19(23)17-15(4)20-18(24-17)16-12-13(2)6-7-14(16)3/h6-7,12H,5,8-11H2,1-4H3
InChIKeyCRINAWHQZGVIFA-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.51
Rot. Bonds3

About [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 59337873) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID59337873
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2sc(-c3cc(C)ccc3C)nc2C)CC1
InChIInChI=1S/C19H25N3OS/c1-5-21-8-10-22(11-9-21)19(23)17-15(4)20-18(24-17)16-12-13(2)6-7-14(16)3/h6-7,12H,5,8-11H2,1-4H3
InChIKeyCRINAWHQZGVIFA-UHFFFAOYSA-N
XLogP3.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone 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

3-[5-(4-ethylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-7-hydroxychromen-2-one
CID 174955050
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47085113
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 46655050
[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23611650
(3-anilinopyrrolidin-1-yl)-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 56503064
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 55339656
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55813581
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540320
(4-butyl-1,4-diazepan-1-yl)-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338425
(4-butyl-1,4-diazepan-1-yl)-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338765
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540319
(4-butyl-1,4-diazepan-1-yl)-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59337995

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 59337873) is [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2sc(-c3cc(C)ccc3C)nc2C)CC1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is CRINAWHQZGVIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-5-21-8-10-22(11-9-21)19(23)17-15(4)20-18(24-17)16-12-13(2)6-7-14(16)3/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 343.50 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 59337873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).