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

C14H11Cl2N3S — CID 3303878

IUPAC4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1
InChIInChI=1S/C14H11Cl2N3S/c1-8-5-9(2)19(18-8)14-17-13(7-20-14)10-3-4-11(15)12(16)6-10/h3-7H,1-2H3
InChIKeyLHZMFWPUOVARCI-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.92
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole (PubChem CID 3303878) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
PubChem CID3303878
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC Name4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1
InChIInChI=1S/C14H11Cl2N3S/c1-8-5-9(2)19(18-8)14-17-13(7-20-14)10-3-4-11(15)12(16)6-10/h3-7H,1-2H3
InChIKeyLHZMFWPUOVARCI-UHFFFAOYSA-N
XLogP4.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-phenyl-
CID 388615
3-(3,4-dichlorophenyl)-1-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methylthiazol-5-yl)prop-2-en-1-one
CID 5351382
4-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 829964
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
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-phenyl-
CID 1498382
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-(4-methylphenyl)-
CID 1498377
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
CID 804436
4-(4-chlorophenyl)-2-[3-(thiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole
CID 2717163
4-(4-chlorophenyl)-2-(3-methyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole
CID 73891046
4-(4-chlorophenyl)-2-(3-ethyl-4H-indeno[1,2-c]pyrazol-1-yl)-1,3-thiazole
CID 73891047

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole (CID 3303878) is 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole is Cc1cc(C)n(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is LHZMFWPUOVARCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c1-8-5-9(2)19(18-8)14-17-13(7-20-14)10-3-4-11(15)12(16)6-10/h3-7H,1-2H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 324.24 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 3303878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).