1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol

C9H13NO2S — CID 130709272

IUPAC1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol
SMILESCc1cc(C(O)C(O)C2CC2)sn1
InChIInChI=1S/C9H13NO2S/c1-5-4-7(13-10-5)9(12)8(11)6-2-3-6/h4,6,8-9,11-12H,2-3H2,1H3
InChIKeyZVNWZCJIDIZBLQ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.26
Rot. Bonds3

About 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol

1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol (PubChem CID 130709272) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol
PubChem CID130709272
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol
SMILESCc1cc(C(O)C(O)C2CC2)sn1
InChIInChI=1S/C9H13NO2S/c1-5-4-7(13-10-5)9(12)8(11)6-2-3-6/h4,6,8-9,11-12H,2-3H2,1H3
InChIKeyZVNWZCJIDIZBLQ-UHFFFAOYSA-N
XLogP1.26
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
(5-Isopropyl-isothiazol-3-yl)-methanol
CID 68731053
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol
CID 126985704
3-Methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 126985729
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
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol (CID 130709272) is 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol is Cc1cc(C(O)C(O)C2CC2)sn1.
What is the InChIKey of 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol?
The InChIKey is ZVNWZCJIDIZBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-5-4-7(13-10-5)9(12)8(11)6-2-3-6/h4,6,8-9,11-12H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol?
1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol has a molecular weight of 199.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 130709272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).