4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole

C16H20N2S — CID 169260108

IUPAC4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCc2ccccc2)sc1N1CCCC1
InChIInChI=1S/C16H20N2S/c1-13-16(18-11-5-6-12-18)19-15(17-13)10-9-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyOAQAIARICCRJRU-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.84
Rot. Bonds4

About 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole

4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 169260108) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole
PubChem CID169260108
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCc2ccccc2)sc1N1CCCC1
InChIInChI=1S/C16H20N2S/c1-13-16(18-11-5-6-12-18)19-15(17-13)10-9-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyOAQAIARICCRJRU-UHFFFAOYSA-N
XLogP3.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole (CID 169260108) is 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole is Cc1nc(CCc2ccccc2)sc1N1CCCC1.
What is the InChIKey of 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is OAQAIARICCRJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-13-16(18-11-5-6-12-18)19-15(17-13)10-9-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3.
What are the key properties of 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole?
4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 272.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylethyl)-5-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 169260108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).