2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol

C13H15NOS — CID 112641782

IUPAC2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(Cc1cncs1)c1ccccc1
InChIInChI=1S/C13H15NOS/c1-2-13(15,8-12-9-14-10-16-12)11-6-4-3-5-7-11/h3-7,9-10,15H,2,8H2,1H3
InChIKeyZFTFVTAEWKVHRB-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.98
Rot. Bonds4

About 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol

2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 112641782) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID112641782
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(Cc1cncs1)c1ccccc1
InChIInChI=1S/C13H15NOS/c1-2-13(15,8-12-9-14-10-16-12)11-6-4-3-5-7-11/h3-7,9-10,15H,2,8H2,1H3
InChIKeyZFTFVTAEWKVHRB-UHFFFAOYSA-N
XLogP2.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112641801
3-oxo-2-phenyl-2-(1,3-thiazol-5-ylmethyl)butanenitrile
CID 112645130
2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
CID 112645394
1-(1-benzothiophen-3-yl)-2-phenylbutan-2-ol
CID 65146896
(2S)-1-bromo-2-phenylbutan-2-ol
CID 101213758
4-[2-hydroxy-1-(1,3-thiazol-5-yl)propan-2-yl]benzonitrile
CID 112642079
5-[2-benzyl-3-chloro-2-(chloromethyl)propyl]-1,3-thiazole
CID 112645411
5-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-1,3-thiazole
CID 112645432
2-ethyl-2-(1,3-thiazol-5-ylmethyl)hexanoic acid
CID 112641498
2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 116789344
3-ethyl-3-hydroxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 103446921
1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
CID 107045726

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol (CID 112641782) is 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol is CCC(O)(Cc1cncs1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is ZFTFVTAEWKVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-13(15,8-12-9-14-10-16-12)11-6-4-3-5-7-11/h3-7,9-10,15H,2,8H2,1H3.
What are the key properties of 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol?
2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 233.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 112641782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).