(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol

C10H15NO2S — CID 131057379

IUPAC(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol
SMILESCC1COCCC1C(O)c1ccsn1
InChIInChI=1S/C10H15NO2S/c1-7-6-13-4-2-8(7)10(12)9-3-5-14-11-9/h3,5,7-8,10,12H,2,4,6H2,1H3
InChIKeyJHJDLOGZVPVLEV-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.85
Rot. Bonds2

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

(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 131057379) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID131057379
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol
SMILESCC1COCCC1C(O)c1ccsn1
InChIInChI=1S/C10H15NO2S/c1-7-6-13-4-2-8(7)10(12)9-3-5-14-11-9/h3,5,7-8,10,12H,2,4,6H2,1H3
InChIKeyJHJDLOGZVPVLEV-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
2-Methoxy-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127004478
2,6-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130620480
1-Cyclohexyl-1-(1,2-thiazol-3-yl)ethanol
CID 130627757
2-(Thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130637260
3-Methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 130659054
(1-Ethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 130699304

Frequently Asked Questions

What is the IUPAC name of (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol (CID 131057379) is (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol is CC1COCCC1C(O)c1ccsn1.
What is the InChIKey of (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is JHJDLOGZVPVLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-6-13-4-2-8(7)10(12)9-3-5-14-11-9/h3,5,7-8,10,12H,2,4,6H2,1H3.
What are the key properties of (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol?
(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 213.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 131057379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).