(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol

C10H15NO2S — CID 130644818

IUPAC(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol
SMILESCc1cc(C(O)C2CCCOC2)sn1
InChIInChI=1S/C10H15NO2S/c1-7-5-9(14-11-7)10(12)8-3-2-4-13-6-8/h5,8,10,12H,2-4,6H2,1H3
InChIKeyLDCHKVINEHCJHD-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.91
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol

(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol (PubChem CID 130644818) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol
PubChem CID130644818
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol
SMILESCc1cc(C(O)C2CCCOC2)sn1
InChIInChI=1S/C10H15NO2S/c1-7-5-9(14-11-7)10(12)8-3-2-4-13-6-8/h5,8,10,12H,2-4,6H2,1H3
InChIKeyLDCHKVINEHCJHD-UHFFFAOYSA-N
XLogP1.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol
CID 126985704
3-(3-Methyl-1,2-thiazol-5-yl)oxolan-3-ol
CID 126985746
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581
3-Ethoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
CID 127004477
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
CID 130604796
3-Methoxy-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130604847
Cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604889
6-Bicyclo[3.1.0]hexanyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130639381
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130646530
(3-Methyl-1,2-thiazol-5-yl)-(thian-3-yl)methanol
CID 130653496
3-Methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130658254

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol (CID 130644818) is (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol is Cc1cc(C(O)C2CCCOC2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol?
The InChIKey is LDCHKVINEHCJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-5-9(14-11-7)10(12)8-3-2-4-13-6-8/h5,8,10,12H,2-4,6H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol?
(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol has a molecular weight of 213.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanol is sourced from PubChem (CID 130644818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).