(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol

C9H13NO2S — CID 130715054

IUPAC(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol
SMILESCC1OCCC1C(O)c1ccsn1
InChIInChI=1S/C9H13NO2S/c1-6-7(2-4-12-6)9(11)8-3-5-13-10-8/h3,5-7,9,11H,2,4H2,1H3
InChIKeyPSONBDUAYQLVMX-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.60
Rot. Bonds2

About (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol

(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 130715054) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID130715054
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol
SMILESCC1OCCC1C(O)c1ccsn1
InChIInChI=1S/C9H13NO2S/c1-6-7(2-4-12-6)9(11)8-3-5-13-10-8/h3,5-7,9,11H,2,4H2,1H3
InChIKeyPSONBDUAYQLVMX-UHFFFAOYSA-N
XLogP1.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
3-(3-Methyl-1,2-thiazol-5-yl)oxolan-3-ol
CID 126985746
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
2,6-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130620480
3-Methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 130659054
1,2-Thiazol-3-yl(thiolan-3-yl)methanol
CID 130694348
(1-Ethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 130699304
2,2-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130702883
(1-Methylcyclopentyl)-(1,2-thiazol-3-yl)methanol
CID 130706869
2-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 130718298

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol (CID 130715054) is (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol is CC1OCCC1C(O)c1ccsn1.
What is the InChIKey of (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is PSONBDUAYQLVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-7(2-4-12-6)9(11)8-3-5-13-10-8/h3,5-7,9,11H,2,4H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol?
(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 199.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130715054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).