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

C13H15NOS — CID 151644612

IUPAC4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol
SMILESOCCCCc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H15NOS/c15-9-2-1-3-11-4-6-12(7-5-11)13-14-8-10-16-13/h4-8,10,15H,1-3,9H2
InChIKeyQTGBUTQEFPMKRW-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.13
Rot. Bonds5

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

4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol (PubChem CID 151644612) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol
PubChem CID151644612
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol
SMILESOCCCCc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H15NOS/c15-9-2-1-3-11-4-6-12(7-5-11)13-14-8-10-16-13/h4-8,10,15H,1-3,9H2
InChIKeyQTGBUTQEFPMKRW-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
2-(4-prop-2-enylphenyl)-1,3-thiazole
CID 91383546
4-(4-phenylphenyl)butan-1-ol
CID 11970468
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
[4-(1,3-thiazol-2-yl)phenoxy]boronic acid
CID 142729083
2-(3-phenylpropoxy)-5-(1,3-thiazol-2-yl)aniline
CID 94758847
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
4-(4-propylphenyl)butan-1-ol
CID 10511962
4-(12-hydroxydodecyl)phenol
CID 139809285
2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol
CID 167546703

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol?
The IUPAC name of 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol (CID 151644612) is 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol.
What is the SMILES notation for 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol?
The canonical SMILES for 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol is OCCCCc1ccc(-c2nccs2)cc1.
What is the InChIKey of 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol?
The InChIKey is QTGBUTQEFPMKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c15-9-2-1-3-11-4-6-12(7-5-11)13-14-8-10-16-13/h4-8,10,15H,1-3,9H2.
What are the key properties of 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol?
4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol is sourced from PubChem (CID 151644612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).