3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol

C15H19NO2S — CID 79820192

IUPAC3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCOC(C)(C)C(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NO2S/c1-15(2,18-3)13(17)9-14-16-12(10-19-14)11-7-5-4-6-8-11/h4-8,10,13,17H,9H2,1-3H3
InChIKeyJAEKVIMGEBDQOB-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.14
Rot. Bonds5

About 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol

3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol (PubChem CID 79820192) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
PubChem CID79820192
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCOC(C)(C)C(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NO2S/c1-15(2,18-3)13(17)9-14-16-12(10-19-14)11-7-5-4-6-8-11/h4-8,10,13,17H,9H2,1-3H3
InChIKeyJAEKVIMGEBDQOB-UHFFFAOYSA-N
XLogP3.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 103027611
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105110995
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 116504657
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
CID 79817950
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol (CID 79820192) is 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol is COC(C)(C)C(O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is JAEKVIMGEBDQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(2,18-3)13(17)9-14-16-12(10-19-14)11-7-5-4-6-8-11/h4-8,10,13,17H,9H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol?
3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 277.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 79820192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).