2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one

C10H13NO2S — CID 130927246

IUPAC2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one
SMILESCC1(C)OCC(Cc2cscn2)C1=O
InChIInChI=1S/C10H13NO2S/c1-10(2)9(12)7(4-13-10)3-8-5-14-6-11-8/h5-7H,3-4H2,1-2H3
InChIKeyGIDDNFQQAPNKSD-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.68
Rot. Bonds2

About 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one

2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one (PubChem CID 130927246) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one
PubChem CID130927246
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one
SMILESCC1(C)OCC(Cc2cscn2)C1=O
InChIInChI=1S/C10H13NO2S/c1-10(2)9(12)7(4-13-10)3-8-5-14-6-11-8/h5-7H,3-4H2,1-2H3
InChIKeyGIDDNFQQAPNKSD-UHFFFAOYSA-N
XLogP1.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one?
The IUPAC name of 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one (CID 130927246) is 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one.
What is the SMILES notation for 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one?
The canonical SMILES for 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one is CC1(C)OCC(Cc2cscn2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one?
The InChIKey is GIDDNFQQAPNKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-10(2)9(12)7(4-13-10)3-8-5-14-6-11-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one?
2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one has a molecular weight of 211.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one is sourced from PubChem (CID 130927246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).