[3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C17H21N3O2S — CID 24790504

IUPAC[3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3csc(C)n3)C2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-18-16(11-23-12)17(21)20-9-3-4-14(10-20)19-13-5-7-15(22-2)8-6-13/h5-8,11,14,19H,3-4,9-10H2,1-2H3
InChIKeyVTZZSRNUUNDXDS-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.18
Rot. Bonds4

About [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 24790504) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID24790504
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3csc(C)n3)C2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-18-16(11-23-12)17(21)20-9-3-4-14(10-20)19-13-5-7-15(22-2)8-6-13/h5-8,11,14,19H,3-4,9-10H2,1-2H3
InChIKeyVTZZSRNUUNDXDS-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-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

Related Compounds

N-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4305027
[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472598
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532889
Ethyl 2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2998339
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 7406147
1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816858
N-(3,4-dimethoxyphenyl)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24818950
2-ethynyl-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 168270993
2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 863792

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 24790504) is [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is COc1ccc(NC2CCCN(C(=O)c3csc(C)n3)C2)cc1.
What is the InChIKey of [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is VTZZSRNUUNDXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-18-16(11-23-12)17(21)20-9-3-4-14(10-20)19-13-5-7-15(22-2)8-6-13/h5-8,11,14,19H,3-4,9-10H2,1-2H3.
What are the key properties of [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24790504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).