(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C15H20N4O3S — CID 95779136

IUPAC(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1
InChIInChI=1S/C15H20N4O3S/c1-9-8-23-14(16-9)10-3-2-6-19(7-10)12(20)5-4-11-13(21)18-15(22)17-11/h8,10-11H,2-7H2,1H3,(H2,17,18,21,22)/t10-,11+/m1/s1
InChIKeyRHVZWAQKDAPDAT-MNOVXSKESA-N
MW336.42 g/mol
LogP1.15
Rot. Bonds4

About (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 95779136) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID95779136
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1
InChIInChI=1S/C15H20N4O3S/c1-9-8-23-14(16-9)10-3-2-6-19(7-10)12(20)5-4-11-13(21)18-15(22)17-11/h8,10-11H,2-7H2,1H3,(H2,17,18,21,22)/t10-,11+/m1/s1
InChIKeyRHVZWAQKDAPDAT-MNOVXSKESA-N
XLogP1.15
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 95778944
(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 124976368
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
3-imidazol-1-yl-1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95779153
1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 95778958
6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
(5S)-5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 92564147
(1-aminocyclohexyl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873411
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95779150
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95779059
3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95779140

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 95779136) is (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1.
What is the InChIKey of (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is RHVZWAQKDAPDAT-MNOVXSKESA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9-8-23-14(16-9)10-3-2-6-19(7-10)12(20)5-4-11-13(21)18-15(22)17-11/h8,10-11H,2-7H2,1H3,(H2,17,18,21,22)/t10-,11+/m1/s1.
What are the key properties of (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 336.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95779136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).