2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol

C17H23NO2S — CID 116775236

IUPAC2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
SMILESCCC(CC)(OC)c1nc(CC(O)c2ccccc2)cs1
InChIInChI=1S/C17H23NO2S/c1-4-17(5-2,20-3)16-18-14(12-21-16)11-15(19)13-9-7-6-8-10-13/h6-10,12,15,19H,4-5,11H2,1-3H3
InChIKeyONVVPKAOGQBVJO-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.08
Rot. Bonds7

About 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol

2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol (PubChem CID 116775236) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
PubChem CID116775236
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
SMILESCCC(CC)(OC)c1nc(CC(O)c2ccccc2)cs1
InChIInChI=1S/C17H23NO2S/c1-4-17(5-2,20-3)16-18-14(12-21-16)11-15(19)13-9-7-6-8-10-13/h6-10,12,15,19H,4-5,11H2,1-3H3
InChIKeyONVVPKAOGQBVJO-UHFFFAOYSA-N
XLogP4.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 116774484
2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62754698
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 80685288
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
CID 103476126
2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62752810
2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine
CID 116782565
1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 116774571
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
CID 62364984
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 79712451
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
CID 62366190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol (CID 116775236) is 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol is CCC(CC)(OC)c1nc(CC(O)c2ccccc2)cs1.
What is the InChIKey of 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol?
The InChIKey is ONVVPKAOGQBVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-17(5-2,20-3)16-18-14(12-21-16)11-15(19)13-9-7-6-8-10-13/h6-10,12,15,19H,4-5,11H2,1-3H3.
What are the key properties of 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol?
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol has a molecular weight of 305.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol is sourced from PubChem (CID 116775236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).