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

C12H8ClN3S — CID 1476728

IUPAC2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESClc1ccc(-c2ncc(-c3ccn[nH]3)s2)cc1
InChIInChI=1S/C12H8ClN3S/c13-9-3-1-8(2-4-9)12-14-7-11(17-12)10-5-6-15-16-10/h1-7H,(H,15,16)
InChIKeyOZFODNNICWDTIL-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.85
Rot. Bonds2

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

2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 1476728) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID1476728
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESClc1ccc(-c2ncc(-c3ccn[nH]3)s2)cc1
InChIInChI=1S/C12H8ClN3S/c13-9-3-1-8(2-4-9)12-14-7-11(17-12)10-5-6-15-16-10/h1-7H,(H,15,16)
InChIKeyOZFODNNICWDTIL-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole (CID 1476728) is 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole is Clc1ccc(-c2ncc(-c3ccn[nH]3)s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is OZFODNNICWDTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c13-9-3-1-8(2-4-9)12-14-7-11(17-12)10-5-6-15-16-10/h1-7H,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole?
2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 261.74 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 1476728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).