(3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone

C16H20N2OS — CID 146891019

IUPAC(3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone
SMILESCc1nc(C2=CCC(C(=O)N3CCCC(C)C3)=C2)cs1
InChIInChI=1S/C16H20N2OS/c1-11-4-3-7-18(9-11)16(19)14-6-5-13(8-14)15-10-20-12(2)17-15/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeySZORSEHMROUGKD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.42
Rot. Bonds2

About (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone

(3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone (PubChem CID 146891019) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone
PubChem CID146891019
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone
SMILESCc1nc(C2=CCC(C(=O)N3CCCC(C)C3)=C2)cs1
InChIInChI=1S/C16H20N2OS/c1-11-4-3-7-18(9-11)16(19)14-6-5-13(8-14)15-10-20-12(2)17-15/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeySZORSEHMROUGKD-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-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

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone (CID 146891019) is (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone is Cc1nc(C2=CCC(C(=O)N3CCCC(C)C3)=C2)cs1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone?
The InChIKey is SZORSEHMROUGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-4-3-7-18(9-11)16(19)14-6-5-13(8-14)15-10-20-12(2)17-15/h5,8,10-11H,3-4,6-7,9H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone?
(3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone has a molecular weight of 288.42 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone is sourced from PubChem (CID 146891019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).