(5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione

C15H18N4O3S — CID 2583340

IUPAC(5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)C[C@]1(C)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C15H18N4O3S/c1-9(2)7-15(3)12(21)19(13(22)17-15)8-10-6-11(20)18-4-5-23-14(18)16-10/h4-6,9H,7-8H2,1-3H3,(H,17,22)/t15-/m0/s1
InChIKeyDJEQXZMTUNJVNR-HNNXBMFYSA-N
MW334.40 g/mol
LogP1.61
Rot. Bonds4

About (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (PubChem CID 2583340) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
PubChem CID2583340
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESCC(C)C[C@]1(C)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O
InChIInChI=1S/C15H18N4O3S/c1-9(2)7-15(3)12(21)19(13(22)17-15)8-10-6-11(20)18-4-5-23-14(18)16-10/h4-6,9H,7-8H2,1-3H3,(H,17,22)/t15-/m0/s1
InChIKeyDJEQXZMTUNJVNR-HNNXBMFYSA-N
XLogP1.61
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (CID 2583340) is (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is CC(C)C[C@]1(C)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O.
What is the InChIKey of (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is DJEQXZMTUNJVNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9(2)7-15(3)12(21)19(13(22)17-15)8-10-6-11(20)18-4-5-23-14(18)16-10/h4-6,9H,7-8H2,1-3H3,(H,17,22)/t15-/m0/s1.
What are the key properties of (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2583340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).