(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H23N3OS — CID 120645991

IUPAC(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc(C2CCCN(C(=O)c3cc(N)ccc3C)C2)n1
InChIInChI=1S/C18H23N3OS/c1-3-15-11-23-17(20-15)13-5-4-8-21(10-13)18(22)16-9-14(19)7-6-12(16)2/h6-7,9,11,13H,3-5,8,10,19H2,1-2H3
InChIKeyRKRCNSRVYYEUNP-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.62
Rot. Bonds3

About (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 120645991) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID120645991
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc(C2CCCN(C(=O)c3cc(N)ccc3C)C2)n1
InChIInChI=1S/C18H23N3OS/c1-3-15-11-23-17(20-15)13-5-4-8-21(10-13)18(22)16-9-14(19)7-6-12(16)2/h6-7,9,11,13H,3-5,8,10,19H2,1-2H3
InChIKeyRKRCNSRVYYEUNP-UHFFFAOYSA-N
XLogP3.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-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

Related Compounds

(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95767995
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95767935
2-methyl-N-[[2-[1-(2-methylbenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 53149441
5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95768063
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 95768025

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 120645991) is (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCc1csc(C2CCCN(C(=O)c3cc(N)ccc3C)C2)n1.
What is the InChIKey of (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RKRCNSRVYYEUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-15-11-23-17(20-15)13-5-4-8-21(10-13)18(22)16-9-14(19)7-6-12(16)2/h6-7,9,11,13H,3-5,8,10,19H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 120645991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).