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

C13H15NOS — CID 116891277

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
SMILESCCC(CO)c1csc(-c2ccccc2)n1
InChIInChI=1S/C13H15NOS/c1-2-10(8-15)12-9-16-13(14-12)11-6-4-3-5-7-11/h3-7,9-10,15H,2,8H2,1H3
InChIKeyRWTZLRLEEMXTDX-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.30
Rot. Bonds4

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

2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol (PubChem CID 116891277) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
PubChem CID116891277
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
SMILESCCC(CO)c1csc(-c2ccccc2)n1
InChIInChI=1S/C13H15NOS/c1-2-10(8-15)12-9-16-13(14-12)11-6-4-3-5-7-11/h3-7,9-10,15H,2,8H2,1H3
InChIKeyRWTZLRLEEMXTDX-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891278
2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891287
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
2-amino-1-(2-phenyl-1,3-thiazol-4-yl)ethanol
CID 14076241
4-(difluoromethyl)-2-phenyl-1,3-thiazole
CID 91615128
ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
CID 102139996
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 70818588
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylbutan-1-amine
CID 116891572

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol (CID 116891277) is 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol is CCC(CO)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol?
The InChIKey is RWTZLRLEEMXTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-10(8-15)12-9-16-13(14-12)11-6-4-3-5-7-11/h3-7,9-10,15H,2,8H2,1H3.
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol?
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol is sourced from PubChem (CID 116891277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).