[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H24ClN3O3S — CID 55507288

IUPAC[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H24ClN3O3S/c1-14-18(29-19(23-14)15-4-6-17(22)7-5-15)21(27)25-8-2-3-16(13-25)20(26)24-9-11-28-12-10-24/h4-7,16H,2-3,8-13H2,1H3
InChIKeyNCWMKRUEARKNOI-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.48
Rot. Bonds3

About [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 55507288) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID55507288
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H24ClN3O3S/c1-14-18(29-19(23-14)15-4-6-17(22)7-5-15)21(27)25-8-2-3-16(13-25)20(26)24-9-11-28-12-10-24/h4-7,16H,2-3,8-13H2,1H3
InChIKeyNCWMKRUEARKNOI-UHFFFAOYSA-N
XLogP3.48
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone 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 [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 55507288) is [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NCWMKRUEARKNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-14-18(29-19(23-14)15-4-6-17(22)7-5-15)21(27)25-8-2-3-16(13-25)20(26)24-9-11-28-12-10-24/h4-7,16H,2-3,8-13H2,1H3.
What are the key properties of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 433.96 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55507288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).