3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one

C15H25N3O2S — CID 119435215

IUPAC3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCC(=O)N2CCCCC2C(C)N)c1C
InChIInChI=1S/C15H25N3O2S/c1-10(16)13-6-4-5-8-18(13)14(19)7-9-17-11(2)12(3)21-15(17)20/h10,13H,4-9,16H2,1-3H3
InChIKeyFBCCRDWTJXFBKV-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.65
Rot. Bonds4

About 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 119435215) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID119435215
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCC(=O)N2CCCCC2C(C)N)c1C
InChIInChI=1S/C15H25N3O2S/c1-10(16)13-6-4-5-8-18(13)14(19)7-9-17-11(2)12(3)21-15(17)20/h10,13H,4-9,16H2,1-3H3
InChIKeyFBCCRDWTJXFBKV-UHFFFAOYSA-N
XLogP1.65
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one 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

3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 99776966
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride
CID 119631760
3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579620
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
2-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 119436468
3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 119435446
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 119435379
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(4-bromothiophen-2-yl)propan-1-one
CID 119437750
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65160190
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119435553
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119437210

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 119435215) is 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCC(=O)N2CCCCC2C(C)N)c1C.
What is the InChIKey of 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is FBCCRDWTJXFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10(16)13-6-4-5-8-18(13)14(19)7-9-17-11(2)12(3)21-15(17)20/h10,13H,4-9,16H2,1-3H3.
What are the key properties of 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 311.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 119435215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).