2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole

C28H23FN6S — CID 139052862

IUPAC2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4nnn(-c5ccccc5)c4C)cs3)[C@@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C28H23FN6S/c1-18-8-10-20(11-9-18)24-16-26(21-12-14-22(29)15-13-21)35(32-24)28-30-25(17-36-28)27-19(2)34(33-31-27)23-6-4-3-5-7-23/h3-15,17,26H,16H2,1-2H3/t26-/m1/s1
InChIKeyLIPQFRMRCQIXFG-AREMUKBSSA-N
MW494.60 g/mol
LogP6.50
Rot. Bonds5

About 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole

2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole (PubChem CID 139052862) has the molecular formula C28H23FN6S and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
PubChem CID139052862
Molecular FormulaC28H23FN6S
Molecular Weight494.60 g/mol
Exact Mass494.17
IUPAC Name2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4nnn(-c5ccccc5)c4C)cs3)[C@@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C28H23FN6S/c1-18-8-10-20(11-9-18)24-16-26(21-12-14-22(29)15-13-21)35(32-24)28-30-25(17-36-28)27-19(2)34(33-31-27)23-6-4-3-5-7-23/h3-15,17,26H,16H2,1-2H3/t26-/m1/s1
InChIKeyLIPQFRMRCQIXFG-AREMUKBSSA-N
XLogP6.50
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-Fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-phenylphenyl)-1,3-thiazole
CID 2858591
N-(6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117763363
N-(6-(3-aminopyrrolidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117764350
N-(2-ethyl-6-(3-(piperidin-1-yl)pyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117795316
N-(2-ethyl-6-(3-thiomorpholino-pyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 122422173
2-(1-(3-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-(p-tolyl)thiazole
CID 27373078
2-[5-(4-Methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45150771
2-[3,5-Bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45150784
2-[3-(4-Fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 60144579
4-(4-Chlorophenyl)-2-[3-(4-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 60144580
4-(4-Bromophenyl)-2-[3-(4-fluorophenyl)-5-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 60144581
N-[(E)-[2-(benzotriazol-1-yl)-1-(4-fluorophenyl)ethylidene]amino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 70696175

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole (CID 139052862) is 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole is Cc1ccc(C2=NN(c3nc(-c4nnn(-c5ccccc5)c4C)cs3)[C@@H](c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The InChIKey is LIPQFRMRCQIXFG-AREMUKBSSA-N. The full InChI is InChI=1S/C28H23FN6S/c1-18-8-10-20(11-9-18)24-16-26(21-12-14-22(29)15-13-21)35(32-24)28-30-25(17-36-28)27-19(2)34(33-31-27)23-6-4-3-5-7-23/h3-15,17,26H,16H2,1-2H3/t26-/m1/s1.
What are the key properties of 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole has a molecular weight of 494.60 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 139052862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).