2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole

C23H18BrN3O2S — CID 70681975

IUPAC2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)CC3c3ccco3)n2)cc1
InChIInChI=1S/C23H18BrN3O2S/c1-28-18-10-6-16(7-11-18)20-14-30-23(25-20)27-21(22-3-2-12-29-22)13-19(26-27)15-4-8-17(24)9-5-15/h2-12,14,21H,13H2,1H3
InChIKeyYOSNSELQJOQEEY-UHFFFAOYSA-N
MW480.39 g/mol
LogP6.53
Rot. Bonds5

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

2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 70681975) has the molecular formula C23H18BrN3O2S and a molecular weight of 480.39 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID70681975
Molecular FormulaC23H18BrN3O2S
Molecular Weight480.39 g/mol
Exact Mass479.03
IUPAC Name2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)CC3c3ccco3)n2)cc1
InChIInChI=1S/C23H18BrN3O2S/c1-28-18-10-6-16(7-11-18)20-14-30-23(25-20)27-21(22-3-2-12-29-22)13-19(26-27)15-4-8-17(24)9-5-15/h2-12,14,21H,13H2,1H3
InChIKeyYOSNSELQJOQEEY-UHFFFAOYSA-N
XLogP6.53
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(Furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 4884442
5-benzyl-4-(2-furyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 72706127
Furan-2-ylmethyl-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amine
CID 652138
N-Furan-2-ylmethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 862712
N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine
CID 886954
N-[4-[2-[5-(2-furyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]thiazol-4-yl]benzyl]acetamide
CID 16320697
2-[5-(4-Bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 70696634
2-[3-(Furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 70686238
2-[5-(3,4-Dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 70684092
2-[5-(3,4-Dichlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690381
2-[3-(Furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690382
2-[5-(4-Fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70696635

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 70681975) is 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)CC3c3ccco3)n2)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is YOSNSELQJOQEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2S/c1-28-18-10-6-16(7-11-18)20-14-30-23(25-20)27-21(22-3-2-12-29-22)13-19(26-27)15-4-8-17(24)9-5-15/h2-12,14,21H,13H2,1H3.
What are the key properties of 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 480.39 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 70681975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).