2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole

C12H9N3S — CID 2744786

IUPAC2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccn[nH]3)cs2)cc1
InChIInChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-14-11(8-16-12)10-6-7-13-15-10/h1-8H,(H,13,15)
InChIKeyGGACODUBSVKDGG-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.20
Rot. Bonds2

About 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole

2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 2744786) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID2744786
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccn[nH]3)cs2)cc1
InChIInChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-14-11(8-16-12)10-6-7-13-15-10/h1-8H,(H,13,15)
InChIKeyGGACODUBSVKDGG-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole (CID 2744786) is 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole is c1ccc(-c2nc(-c3ccn[nH]3)cs2)cc1.
What is the InChIKey of 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is GGACODUBSVKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-14-11(8-16-12)10-6-7-13-15-10/h1-8H,(H,13,15).
What are the key properties of 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole?
2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 227.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 2744786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).