4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole

C16H21N3S — CID 3021497

IUPAC4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H21N3S/c1-14-16(20-13-17-14)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyADUBJHQJHAAFNC-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.82
Rot. Bonds4

About 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole

4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 3021497) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID3021497
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H21N3S/c1-14-16(20-13-17-14)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyADUBJHQJHAAFNC-UHFFFAOYSA-N
XLogP2.82
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole 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

1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-(2-fluorophenyl)piperazine
CID 1474884
1-((2-Chloro-5-thiazolyl)methyl)-4-phenylpiperazine
CID 1489112
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)piperazine
CID 3487713
1-Phenyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine
CID 6937303
2-(4-Methyl-2-thiazolyl)pyridine
CID 21259157
2-Methyl-4-(2-pyridyl)thiazole
CID 17845841
2-Tert-butyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 45815848
2,4-Bis(2-pyridyl)thiazole
CID 23373327
4-Methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
CID 169260083
Piperazine, 1-(2-(4-methyl-5-thiazolyl)ethyl)-4-phenyl-, dihydrochloride
CID 3021496
Piperazine, 1-(2-methylphenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, monohydrochloride
CID 3021498
Piperazine, 1-(4-chlorophenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, monohydrochloride
CID 3021500

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 3021497) is 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole is Cc1ncsc1CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is ADUBJHQJHAAFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-14-16(20-13-17-14)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3.
What are the key properties of 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole?
4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 287.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 3021497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).