2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide

C17H20ClN3O2S — CID 166286486

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC1(CO)CCCNC1
InChIInChI=1S/C17H20ClN3O2S/c18-13-4-2-12(3-5-13)16-20-14(9-24-16)8-15(23)21-17(11-22)6-1-7-19-10-17/h2-5,9,19,22H,1,6-8,10-11H2,(H,21,23)
InChIKeyDCNMFPYOKNMVFQ-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide (PubChem CID 166286486) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide
PubChem CID166286486
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC1(CO)CCCNC1
InChIInChI=1S/C17H20ClN3O2S/c18-13-4-2-12(3-5-13)16-20-14(9-24-16)8-15(23)21-17(11-22)6-1-7-19-10-17/h2-5,9,19,22H,1,6-8,10-11H2,(H,21,23)
InChIKeyDCNMFPYOKNMVFQ-UHFFFAOYSA-N
XLogP2.24
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide 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

2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217558
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119567957
N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119568399
N-[1-(aminomethyl)cyclopentyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119566846
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 62522368
N-[1-(aminomethyl)cyclopentyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119566614
N-(5-chloro-2-pyridinyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 34136046
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119220562
(2S)-2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 29131539
2-[1-[[2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217490

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide (CID 166286486) is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide is O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC1(CO)CCCNC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide?
The InChIKey is DCNMFPYOKNMVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-13-4-2-12(3-5-13)16-20-14(9-24-16)8-15(23)21-17(11-22)6-1-7-19-10-17/h2-5,9,19,22H,1,6-8,10-11H2,(H,21,23).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide?
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide has a molecular weight of 365.89 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 166286486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).