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

C14H12ClN3S — CID 829964

IUPAC4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(-c3cccc(Cl)c3)cs2)n1
InChIInChI=1S/C14H12ClN3S/c1-9-6-10(2)18(17-9)14-16-13(8-19-14)11-4-3-5-12(15)7-11/h3-8H,1-2H3
InChIKeyYRUFWIJTPCWFSO-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.27
Rot. Bonds2

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

4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole (PubChem CID 829964) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
PubChem CID829964
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(-c3cccc(Cl)c3)cs2)n1
InChIInChI=1S/C14H12ClN3S/c1-9-6-10(2)18(17-9)14-16-13(8-19-14)11-4-3-5-12(15)7-11/h3-8H,1-2H3
InChIKeyYRUFWIJTPCWFSO-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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Related Compounds

4-phenyl-2-(1H-pyrazol-1-yl)-1,3-thiazole
CID 1481751
Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-phenyl-
CID 388615
4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 1498249
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-
CID 986333
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 3057627
Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
CID 59866
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-phenyl-
CID 1498382
4-(3,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 3303878
4-(3-chlorophenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189479
4-phenyl-2-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole
CID 1472655
2-[(3-Chlorophenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 71696801
Acetamide, N-(3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498350

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole (CID 829964) is 4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole is Cc1cc(C)n(-c2nc(-c3cccc(Cl)c3)cs2)n1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is YRUFWIJTPCWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9-6-10(2)18(17-9)14-16-13(8-19-14)11-4-3-5-12(15)7-11/h3-8H,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
4-(3-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-(3-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 829964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).