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

C12H9N3S — CID 28956589

IUPAC2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole
SMILESc1cc(-c2ccn[nH]2)cc(-c2nccs2)c1
InChIInChI=1S/C12H9N3S/c1-2-9(11-4-5-14-15-11)8-10(3-1)12-13-6-7-16-12/h1-8H,(H,14,15)
InChIKeyHCZMEGAWZHLEPJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.20
Rot. Bonds2

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

2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole (PubChem CID 28956589) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole
PubChem CID28956589
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole
SMILESc1cc(-c2ccn[nH]2)cc(-c2nccs2)c1
InChIInChI=1S/C12H9N3S/c1-2-9(11-4-5-14-15-11)8-10(3-1)12-13-6-7-16-12/h1-8H,(H,14,15)
InChIKeyHCZMEGAWZHLEPJ-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-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole (CID 28956589) is 2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole is c1cc(-c2ccn[nH]2)cc(-c2nccs2)c1.
What is the InChIKey of 2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole?
The InChIKey is HCZMEGAWZHLEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-9(11-4-5-14-15-11)8-10(3-1)12-13-6-7-16-12/h1-8H,(H,14,15).
What are the key properties of 2-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole?
2-[3-(1H-pyrazol-5-yl)phenyl]-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-[3-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 28956589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).