2-phenyl-1,3-thiazol-4-ol

C9H7NOS — CID 568728

IUPAC2-phenyl-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccccc2)n1
InChIInChI=1S/C9H7NOS/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-6,11H
InChIKeyCCMLIFHRMDXEBM-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.52
Rot. Bonds1

About 2-phenyl-1,3-thiazol-4-ol

2-phenyl-1,3-thiazol-4-ol (PubChem CID 568728) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-phenyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-phenyl-1,3-thiazol-4-ol
PubChem CID568728
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name2-phenyl-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccccc2)n1
InChIInChI=1S/C9H7NOS/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-6,11H
InChIKeyCCMLIFHRMDXEBM-UHFFFAOYSA-N
XLogP2.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-(difluoromethyl)-2-phenyl-1,3-thiazole
CID 91615128
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
2-amino-1-(2-phenyl-1,3-thiazol-4-yl)ethanol
CID 14076241
3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine
CID 116888902
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-thiazol-4-ol?
The IUPAC name of 2-phenyl-1,3-thiazol-4-ol (CID 568728) is 2-phenyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-phenyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-phenyl-1,3-thiazol-4-ol is Oc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-1,3-thiazol-4-ol?
The InChIKey is CCMLIFHRMDXEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-6,11H.
What are the key properties of 2-phenyl-1,3-thiazol-4-ol?
2-phenyl-1,3-thiazol-4-ol has a molecular weight of 177.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-thiazol-4-ol is sourced from PubChem (CID 568728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).