1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol

C11H17NO2S — CID 116728252

IUPAC1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
SMILESCCOC(c1nc(C(C)O)cs1)C1CC1
InChIInChI=1S/C11H17NO2S/c1-3-14-10(8-4-5-8)11-12-9(6-15-11)7(2)13/h6-8,10,13H,3-5H2,1-2H3
InChIKeyMPVQKMSQGFWMPR-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol

1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 116728252) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
PubChem CID116728252
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
SMILESCCOC(c1nc(C(C)O)cs1)C1CC1
InChIInChI=1S/C11H17NO2S/c1-3-14-10(8-4-5-8)11-12-9(6-15-11)7(2)13/h6-8,10,13H,3-5H2,1-2H3
InChIKeyMPVQKMSQGFWMPR-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
CID 64544933
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
CID 116705184
methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592
4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116734463
2-[cyclopropyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360410
4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol
CID 91167837
1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64542378
2-[cyclopropyl(ethoxy)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359644

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol (CID 116728252) is 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol is CCOC(c1nc(C(C)O)cs1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is MPVQKMSQGFWMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-14-10(8-4-5-8)11-12-9(6-15-11)7(2)13/h6-8,10,13H,3-5H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol?
1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 227.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 116728252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).