(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol

C9H13NO2S2 — CID 130964765

IUPAC(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol
SMILESCc1nc(C(O)C2CSCCO2)cs1
InChIInChI=1S/C9H13NO2S2/c1-6-10-7(4-14-6)9(11)8-5-13-3-2-12-8/h4,8-9,11H,2-3,5H2,1H3
InChIKeyIZYHFOBASXXZSK-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.62
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol

(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol (PubChem CID 130964765) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol
PubChem CID130964765
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol
SMILESCc1nc(C(O)C2CSCCO2)cs1
InChIInChI=1S/C9H13NO2S2/c1-6-10-7(4-14-6)9(11)8-5-13-3-2-12-8/h4,8-9,11H,2-3,5H2,1H3
InChIKeyIZYHFOBASXXZSK-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963902
(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 102831462
(4-bromothiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 79962907
(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol
CID 113404119
naphthalen-2-yl(1,4-oxathian-2-yl)methanol
CID 79963790
(2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol
CID 127004647
(2-methyl-1,3-thiazol-4-yl)-[(3S)-pyrrolidin-3-yl]methanol
CID 164653667
1,4-oxathian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79962789
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963922
(4-ethoxyphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963801
N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine
CID 79963028
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol
CID 105394546

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol (CID 130964765) is (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol is Cc1nc(C(O)C2CSCCO2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is IZYHFOBASXXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-6-10-7(4-14-6)9(11)8-5-13-3-2-12-8/h4,8-9,11H,2-3,5H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol?
(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 231.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 130964765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).