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

C14H12ClN3S — CID 1498249

IUPAC4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C14H12ClN3S/c1-9-7-10(2)18(17-9)14-16-13(8-19-14)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyZKFBEVONWLYVNU-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.27
Rot. Bonds2

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

4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole (PubChem CID 1498249) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
PubChem CID1498249
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C14H12ClN3S/c1-9-7-10(2)18(17-9)14-16-13(8-19-14)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyZKFBEVONWLYVNU-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole (CID 1498249) is 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole is Cc1cc(C)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is ZKFBEVONWLYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9-7-10(2)18(17-9)14-16-13(8-19-14)11-3-5-12(15)6-4-11/h3-8H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 289.79 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 1498249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).