5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one

C12H18N2O2S — CID 4069157

IUPAC5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)CC1CC(C)(c2csc(N)n2)OC1=O
InChIInChI=1S/C12H18N2O2S/c1-7(2)4-8-5-12(3,16-10(8)15)9-6-17-11(13)14-9/h6-8H,4-5H2,1-3H3,(H2,13,14)
InChIKeyCEAWFPSZNRQZTF-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.55
Rot. Bonds3

About 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one

5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one (PubChem CID 4069157) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one
PubChem CID4069157
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)CC1CC(C)(c2csc(N)n2)OC1=O
InChIInChI=1S/C12H18N2O2S/c1-7(2)4-8-5-12(3,16-10(8)15)9-6-17-11(13)14-9/h6-8H,4-5H2,1-3H3,(H2,13,14)
InChIKeyCEAWFPSZNRQZTF-UHFFFAOYSA-N
XLogP2.55
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one (CID 4069157) is 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one is CC(C)CC1CC(C)(c2csc(N)n2)OC1=O.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one?
The InChIKey is CEAWFPSZNRQZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7(2)4-8-5-12(3,16-10(8)15)9-6-17-11(13)14-9/h6-8H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one?
5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one has a molecular weight of 254.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 4069157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).