2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone

C16H18ClN3OS — CID 30941985

IUPAC2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CCCCC1
InChIInChI=1S/C16H18ClN3OS/c17-12-5-4-6-13(9-12)18-16-19-14(11-22-16)10-15(21)20-7-2-1-3-8-20/h4-6,9,11H,1-3,7-8,10H2,(H,18,19)
InChIKeyIXYQCRKFRJEJEG-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.10
Rot. Bonds4

About 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone

2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone (PubChem CID 30941985) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
PubChem CID30941985
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CCCCC1
InChIInChI=1S/C16H18ClN3OS/c17-12-5-4-6-13(9-12)18-16-19-14(11-22-16)10-15(21)20-7-2-1-3-8-20/h4-6,9,11H,1-3,7-8,10H2,(H,18,19)
InChIKeyIXYQCRKFRJEJEG-UHFFFAOYSA-N
XLogP4.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone 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-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone
CID 30941883
ethyl 4-[2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 27377984
1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 30941964
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide
CID 27377986
1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41211525
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
CID 30941122
N-(3-chlorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxamide
CID 110368033
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
CID 30942110
1-(3-chlorophenyl)-3-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 18567612
N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone (CID 30941985) is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone is O=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CCCCC1.
What is the InChIKey of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone?
The InChIKey is IXYQCRKFRJEJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-12-5-4-6-13(9-12)18-16-19-14(11-22-16)10-15(21)20-7-2-1-3-8-20/h4-6,9,11H,1-3,7-8,10H2,(H,18,19).
What are the key properties of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone?
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone has a molecular weight of 335.86 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 30941985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).