4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide

C26H24BrFN4O3S3 — CID 90484557

IUPAC4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
SMILESBr.O=S(=O)(c1ccc(-c2csc(N3N=C(c4cccs4)CC3c3ccc(F)cc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C26H23FN4O3S3.BrH/c27-20-7-3-19(4-8-20)24-16-22(25-2-1-15-35-25)29-31(24)26-28-23(17-36-26)18-5-9-21(10-6-18)37(32,33)30-11-13-34-14-12-30;/h1-10,15,17,24H,11-14,16H2;1H
InChIKeyBBOWRFPOKDZVRP-UHFFFAOYSA-N
MW635.61 g/mol
LogP5.97
Rot. Bonds6

About 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide

4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide (PubChem CID 90484557) has the molecular formula C26H24BrFN4O3S3 and a molecular weight of 635.61 g/mol. Its IUPAC name is 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide.

Molecular Properties

Compound Name4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
PubChem CID90484557
Molecular FormulaC26H24BrFN4O3S3
Molecular Weight635.61 g/mol
Exact Mass634.02
IUPAC Name4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
SMILESBr.O=S(=O)(c1ccc(-c2csc(N3N=C(c4cccs4)CC3c3ccc(F)cc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C26H23FN4O3S3.BrH/c27-20-7-3-19(4-8-20)24-16-22(25-2-1-15-35-25)29-31(24)26-28-23(17-36-26)18-5-9-21(10-6-18)37(32,33)30-11-13-34-14-12-30;/h1-10,15,17,24H,11-14,16H2;1H
InChIKeyBBOWRFPOKDZVRP-UHFFFAOYSA-N
XLogP5.97
TPSA75.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.61
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide with MolForge

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Related Compounds

4-(4-fluorophenyl)-2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 40786752
4-[4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
CID 90484386
2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 7124956
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
CID 2858379
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
4-(4-nitrophenyl)-2-[(3R)-3-(4-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 94036572
4-(4-methoxyphenyl)-2-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35413044
4-[4-[2-[5-(4-methoxyphenyl)-3-(1H-pyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine
CID 59754526
4-(2,5-dimethylphenyl)-2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 25287487
(3S)-3-(4-fluorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7263592
4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 118732473
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide?
The IUPAC name of 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide (CID 90484557) is 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide.
What is the SMILES notation for 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide?
The canonical SMILES for 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide is Br.O=S(=O)(c1ccc(-c2csc(N3N=C(c4cccs4)CC3c3ccc(F)cc3)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide?
The InChIKey is BBOWRFPOKDZVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S3.BrH/c27-20-7-3-19(4-8-20)24-16-22(25-2-1-15-35-25)29-31(24)26-28-23(17-36-26)18-5-9-21(10-6-18)37(32,33)30-11-13-34-14-12-30;/h1-10,15,17,24H,11-14,16H2;1H.
What are the key properties of 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide?
4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide has a molecular weight of 635.61 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide is sourced from PubChem (CID 90484557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).