4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one

C16H19N3O2S — CID 94968746

IUPAC4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
SMILESNc1cccc(-c2csc(=O)n2CC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H19N3O2S/c17-13-6-4-5-12(9-13)14-11-22-16(21)19(14)10-15(20)18-7-2-1-3-8-18/h4-6,9,11H,1-3,7-8,10,17H2
InChIKeyCRVMETUMQPHEAL-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.17
Rot. Bonds3

About 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one

4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 94968746) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID94968746
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
SMILESNc1cccc(-c2csc(=O)n2CC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H19N3O2S/c17-13-6-4-5-12(9-13)14-11-22-16(21)19(14)10-15(20)18-7-2-1-3-8-18/h4-6,9,11H,1-3,7-8,10,17H2
InChIKeyCRVMETUMQPHEAL-UHFFFAOYSA-N
XLogP2.17
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 82225372
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-1-(azepan-1-yl)ethanone
CID 94761011
3-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 16596354
3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 807438
2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid
CID 43243749
N-(3-aminophenyl)-N-methylazepane-1-carboxamide
CID 79152179
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
CID 106592536
3-amino-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 97181448
2-(2-imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 73352577
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120640613

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one (CID 94968746) is 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one is Nc1cccc(-c2csc(=O)n2CC(=O)N2CCCCC2)c1.
What is the InChIKey of 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is CRVMETUMQPHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-13-6-4-5-12(9-13)14-11-22-16(21)19(14)10-15(20)18-7-2-1-3-8-18/h4-6,9,11H,1-3,7-8,10,17H2.
What are the key properties of 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 317.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 94968746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).