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

C10H15NO2S — CID 126985704

IUPAC(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol
SMILESCc1cc(C(O)C2CCCCO2)sn1
InChIInChI=1S/C10H15NO2S/c1-7-6-9(14-11-7)10(12)8-4-2-3-5-13-8/h6,8,10,12H,2-5H2,1H3
InChIKeyHLTAWNQXVOYKHH-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.05
Rot. Bonds2

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

(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol (PubChem CID 126985704) 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-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol
PubChem CID126985704
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol
SMILESCc1cc(C(O)C2CCCCO2)sn1
InChIInChI=1S/C10H15NO2S/c1-7-6-9(14-11-7)10(12)8-4-2-3-5-13-8/h6,8,10,12H,2-5H2,1H3
InChIKeyHLTAWNQXVOYKHH-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol (CID 126985704) is (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol is Cc1cc(C(O)C2CCCCO2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol?
The InChIKey is HLTAWNQXVOYKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-6-9(14-11-7)10(12)8-4-2-3-5-13-8/h6,8,10,12H,2-5H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol?
(3-methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol has a molecular weight of 213.30 g/mol, XLogP of 2.05, 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-2-yl)methanol is sourced from PubChem (CID 126985704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).