(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

C12H17N3O3S — CID 164638804

IUPAC(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(Cc2nc(C)c(C)s2)C1=O
InChIInChI=1S/C12H17N3O3S/c1-7-8(2)19-9(13-7)5-15-10(16)12(3,6-18-4)14-11(15)17/h5-6H2,1-4H3,(H,14,17)/t12-/m0/s1
InChIKeySYHMHNWNUGPFHY-LBPRGKRZSA-N
MW283.35 g/mol
LogP1.22
Rot. Bonds4

About (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 164638804) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
PubChem CID164638804
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(Cc2nc(C)c(C)s2)C1=O
InChIInChI=1S/C12H17N3O3S/c1-7-8(2)19-9(13-7)5-15-10(16)12(3,6-18-4)14-11(15)17/h5-6H2,1-4H3,(H,14,17)/t12-/m0/s1
InChIKeySYHMHNWNUGPFHY-LBPRGKRZSA-N
XLogP1.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 146084367
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
(5S)-5-(methoxymethyl)-5-methyl-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 95166165
(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95158297
2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94819428
(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95166190
(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95333198
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95307087
(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95247869
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
CID 115687909
(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 95166292
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 107103906

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (CID 164638804) is (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is COC[C@]1(C)NC(=O)N(Cc2nc(C)c(C)s2)C1=O.
What is the InChIKey of (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is SYHMHNWNUGPFHY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7-8(2)19-9(13-7)5-15-10(16)12(3,6-18-4)14-11(15)17/h5-6H2,1-4H3,(H,14,17)/t12-/m0/s1.
What are the key properties of (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 283.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 164638804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).