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

C15H24N2O3S — CID 99776966

IUPAC3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCC(=O)N2CCCC[C@@H]2[C@H](C)O)c1C
InChIInChI=1S/C15H24N2O3S/c1-10-12(3)21-15(20)16(10)9-7-14(19)17-8-5-4-6-13(17)11(2)18/h11,13,18H,4-9H2,1-3H3/t11-,13+/m0/s1
InChIKeyYRIIBBYYGSBNMG-WCQYABFASA-N
MW312.44 g/mol
LogP1.68
Rot. Bonds4

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

3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 99776966) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID99776966
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCC(=O)N2CCCC[C@@H]2[C@H](C)O)c1C
InChIInChI=1S/C15H24N2O3S/c1-10-12(3)21-15(20)16(10)9-7-14(19)17-8-5-4-6-13(17)11(2)18/h11,13,18H,4-9H2,1-3H3/t11-,13+/m0/s1
InChIKeyYRIIBBYYGSBNMG-WCQYABFASA-N
XLogP1.68
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one with MolForge

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Related Compounds

3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 119435215
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
4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 129371127
1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 119645145
1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
CID 174408643
1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118205
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129371121
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
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119435553

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 99776966) is 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCC(=O)N2CCCC[C@@H]2[C@H](C)O)c1C.
What is the InChIKey of 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is YRIIBBYYGSBNMG-WCQYABFASA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-12(3)21-15(20)16(10)9-7-14(19)17-8-5-4-6-13(17)11(2)18/h11,13,18H,4-9H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 312.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 99776966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).