2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole

C24H18IN3S — CID 2840664

IUPAC2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
SMILESIc1ccc(-c2csc(N3N=C(c4ccccc4)CC3c3ccccc3)n2)cc1
InChIInChI=1S/C24H18IN3S/c25-20-13-11-18(12-14-20)22-16-29-24(26-22)28-23(19-9-5-2-6-10-19)15-21(27-28)17-7-3-1-4-8-17/h1-14,16,23H,15H2
InChIKeyPERIQAWTDJHKLS-UHFFFAOYSA-N
MW507.40 g/mol
LogP6.77
Rot. Bonds4

About 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole

2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole (PubChem CID 2840664) has the molecular formula C24H18IN3S and a molecular weight of 507.40 g/mol. Its IUPAC name is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
PubChem CID2840664
Molecular FormulaC24H18IN3S
Molecular Weight507.40 g/mol
Exact Mass507.03
IUPAC Name2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
SMILESIc1ccc(-c2csc(N3N=C(c4ccccc4)CC3c3ccccc3)n2)cc1
InChIInChI=1S/C24H18IN3S/c25-20-13-11-18(12-14-20)22-16-29-24(26-22)28-23(19-9-5-2-6-10-19)15-21(27-28)17-7-3-1-4-8-17/h1-14,16,23H,15H2
InChIKeyPERIQAWTDJHKLS-UHFFFAOYSA-N
XLogP6.77
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.40
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371
4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
CID 126478151
4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 2840081
4-[4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
CID 90484386
2-[2-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenol
CID 10764872
2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 7124956
2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 41009659
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
4-(4-fluorophenyl)-2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 40786752
4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936081
2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 40900302
2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
CID 92844911

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole?
The IUPAC name of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole (CID 2840664) is 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole?
The canonical SMILES for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole is Ic1ccc(-c2csc(N3N=C(c4ccccc4)CC3c3ccccc3)n2)cc1.
What is the InChIKey of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole?
The InChIKey is PERIQAWTDJHKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18IN3S/c25-20-13-11-18(12-14-20)22-16-29-24(26-22)28-23(19-9-5-2-6-10-19)15-21(27-28)17-7-3-1-4-8-17/h1-14,16,23H,15H2.
What are the key properties of 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole?
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole has a molecular weight of 507.40 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole is sourced from PubChem (CID 2840664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).