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

C13H15NOS — CID 10353949

IUPAC1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol
SMILESCCC(O)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C13H15NOS/c1-2-12(15)8-11-9-13(16-14-11)10-6-4-3-5-7-10/h3-7,9,12,15H,2,8H2,1H3
InChIKeyTUXJLCFUNAWUAK-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.12
Rot. Bonds4

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

1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol (PubChem CID 10353949) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol
PubChem CID10353949
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol
SMILESCCC(O)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C13H15NOS/c1-2-12(15)8-11-9-13(16-14-11)10-6-4-3-5-7-10/h3-7,9,12,15H,2,8H2,1H3
InChIKeyTUXJLCFUNAWUAK-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
[5-(Hydroxymethyl)-3-phenyl-1,2-thiazol-4-yl]methanol
CID 13435381
[3-(4-Trifluoromethyl-phenyl)-isothiazol-5-yl]-methanol
CID 59212200
2-(3-(4-Fluorophenyl)isothiazol-5-yl)propan-2-ol
CID 68328241
[5-(2-Fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
CID 90418044
[3-Ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol
CID 90418726
1-[4-[5-(Trifluoromethyl)-1,2-thiazol-3-yl]phenyl]ethanol
CID 152078970
[5-[1-(3-Ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
CID 170709310
[5-[1-(2-Fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
CID 170709322
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
Isothiazolylphenylmethanol
CID 129752610
(2-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094109

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol?
The IUPAC name of 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol (CID 10353949) is 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol?
The canonical SMILES for 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol is CCC(O)Cc1cc(-c2ccccc2)sn1.
What is the InChIKey of 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol?
The InChIKey is TUXJLCFUNAWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-12(15)8-11-9-13(16-14-11)10-6-4-3-5-7-10/h3-7,9,12,15H,2,8H2,1H3.
What are the key properties of 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol?
1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol has a molecular weight of 233.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2-thiazol-3-yl)butan-2-ol is sourced from PubChem (CID 10353949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).