2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C22H15Cl2N3OS — CID 70684092

IUPAC2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESClc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1Cl
InChIInChI=1S/C22H15Cl2N3OS/c23-16-9-8-15(11-17(16)24)18-12-20(21-7-4-10-28-21)27(26-18)22-25-19(13-29-22)14-5-2-1-3-6-14/h1-11,13,20H,12H2
InChIKeyPXKCOBDPSCOXKR-UHFFFAOYSA-N
MW440.36 g/mol
LogP7.07
Rot. Bonds4

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

2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 70684092) has the molecular formula C22H15Cl2N3OS and a molecular weight of 440.36 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID70684092
Molecular FormulaC22H15Cl2N3OS
Molecular Weight440.36 g/mol
Exact Mass439.03
IUPAC Name2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESClc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1Cl
InChIInChI=1S/C22H15Cl2N3OS/c23-16-9-8-15(11-17(16)24)18-12-20(21-7-4-10-28-21)27(26-18)22-25-19(13-29-22)14-5-2-1-3-6-14/h1-11,13,20H,12H2
InChIKeyPXKCOBDPSCOXKR-UHFFFAOYSA-N
XLogP7.07
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.36
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 52532462
4-(3,4-dimethoxyphenyl)-2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 51109712
2-[4-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide
CID 2854891
4-(3-fluoro-4-methoxyphenyl)-2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 42588568
4-(3-bromo-4-methoxyphenyl)-2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole;hydrobromide
CID 126477707
2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 3112083
N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 41291123
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 8900436
2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 8900434
5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 40898227
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 70684092) is 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Clc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccco3)C2)cc1Cl.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is PXKCOBDPSCOXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3OS/c23-16-9-8-15(11-17(16)24)18-12-20(21-7-4-10-28-21)27(26-18)22-25-19(13-29-22)14-5-2-1-3-6-14/h1-11,13,20H,12H2.
What are the key properties of 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 440.36 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 70684092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).