1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol

C13H15NOS — CID 112644716

IUPAC1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
SMILESOC(CCCc1cncs1)c1ccccc1
InChIInChI=1S/C13H15NOS/c15-13(11-5-2-1-3-6-11)8-4-7-12-9-14-10-16-12/h1-3,5-6,9-10,13,15H,4,7-8H2
InChIKeyFQOAFRMYFCWPFS-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.20
Rot. Bonds5

About 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol

1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol (PubChem CID 112644716) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
PubChem CID112644716
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
SMILESOC(CCCc1cncs1)c1ccccc1
InChIInChI=1S/C13H15NOS/c15-13(11-5-2-1-3-6-11)8-4-7-12-9-14-10-16-12/h1-3,5-6,9-10,13,15H,4,7-8H2
InChIKeyFQOAFRMYFCWPFS-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol
CID 64513517
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(1,3-thiazol-5-yl)hexan-3-ol
CID 19417357
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one
CID 112641235
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
5-(4-chlorobutyl)-1,3-thiazole
CID 112644725
2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 174430323
4-(1,3-thiazol-5-yl)butanamide
CID 66579232
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol?
The IUPAC name of 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol (CID 112644716) is 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol is OC(CCCc1cncs1)c1ccccc1.
What is the InChIKey of 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol?
The InChIKey is FQOAFRMYFCWPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c15-13(11-5-2-1-3-6-11)8-4-7-12-9-14-10-16-12/h1-3,5-6,9-10,13,15H,4,7-8H2.
What are the key properties of 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol?
1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 112644716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).