2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C22H16ClN3S2 — CID 45151110

IUPAC2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESClc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C22H16ClN3S2/c23-17-10-8-16(9-11-17)18-13-20(21-7-4-12-27-21)26(25-18)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2
InChIKeyFCXONIMMFQRRES-UHFFFAOYSA-N
MW421.98 g/mol
LogP6.88
Rot. Bonds4

About 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 45151110) has the molecular formula C22H16ClN3S2 and a molecular weight of 421.98 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID45151110
Molecular FormulaC22H16ClN3S2
Molecular Weight421.98 g/mol
Exact Mass421.05
IUPAC Name2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESClc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C22H16ClN3S2/c23-17-10-8-16(9-11-17)18-13-20(21-7-4-12-27-21)26(25-18)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2
InChIKeyFCXONIMMFQRRES-UHFFFAOYSA-N
XLogP6.88
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.98
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 626588
Tyrosinase-IN-12
CID 6322770
4-(4-Chlorophenyl)-2-[3-(4-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936030
4-(4-Chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936081
1-(2-Thienyl)ethanone [4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazone
CID 6385098
4-(4-Bromophenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150867
2-[5-(4-Fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45150987
4-(4-Bromophenyl)-2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150990
4-(4-Chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936029
2-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 101886904
4-(4-Chlorophenyl)-2-(3-phenyl-1-pyrrolidinyl)-1,3-thiazole
CID 2921946
2-[3-(4-Chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 46935973

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 45151110) is 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Clc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3cccs3)C2)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is FCXONIMMFQRRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3S2/c23-17-10-8-16(9-11-17)18-13-20(21-7-4-12-27-21)26(25-18)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2.
What are the key properties of 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 421.98 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 45151110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).