1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

C11H17NO2S — CID 116712400

IUPAC1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCOC(C(O)Cc1csc(C)n1)C1CC1
InChIInChI=1S/C11H17NO2S/c1-7-12-9(6-15-7)5-10(13)11(14-2)8-3-4-8/h6,8,10-11,13H,3-5H2,1-2H3
InChIKeyVWUHTKNARLCANW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.78
Rot. Bonds5

About 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 116712400) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID116712400
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCOC(C(O)Cc1csc(C)n1)C1CC1
InChIInChI=1S/C11H17NO2S/c1-7-12-9(6-15-7)5-10(13)11(14-2)8-3-4-8/h6,8,10-11,13H,3-5H2,1-2H3
InChIKeyVWUHTKNARLCANW-UHFFFAOYSA-N
XLogP1.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 64740229
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 62799330
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
1-cyclohexyl-3-(5-ethyl-2-pyridinyl)-1-methoxypropan-2-ol
CID 116756434

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 116712400) is 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is COC(C(O)Cc1csc(C)n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is VWUHTKNARLCANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-7-12-9(6-15-7)5-10(13)11(14-2)8-3-4-8/h6,8,10-11,13H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 116712400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).