3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol

C9H13NO2S2 — CID 130571277

IUPAC3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol
SMILESCOc1nc(C2(O)CSCC2C)cs1
InChIInChI=1S/C9H13NO2S2/c1-6-3-13-5-9(6,11)7-4-14-8(10-7)12-2/h4,6,11H,3,5H2,1-2H3
InChIKeyLFRGCYAWWCLULS-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.72
Rot. Bonds2

About 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol

3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol (PubChem CID 130571277) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol.

Molecular Properties

Compound Name3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol
PubChem CID130571277
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol
SMILESCOc1nc(C2(O)CSCC2C)cs1
InChIInChI=1S/C9H13NO2S2/c1-6-3-13-5-9(6,11)7-4-14-8(10-7)12-2/h4,6,11H,3,5H2,1-2H3
InChIKeyLFRGCYAWWCLULS-UHFFFAOYSA-N
XLogP1.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol?
The IUPAC name of 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol (CID 130571277) is 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol.
What is the SMILES notation for 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol?
The canonical SMILES for 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol is COc1nc(C2(O)CSCC2C)cs1.
What is the InChIKey of 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol?
The InChIKey is LFRGCYAWWCLULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-6-3-13-5-9(6,11)7-4-14-8(10-7)12-2/h4,6,11H,3,5H2,1-2H3.
What are the key properties of 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol?
3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol has a molecular weight of 231.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-1,3-thiazol-4-yl)-4-methylthiolan-3-ol is sourced from PubChem (CID 130571277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).