2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C26H23N3OS — CID 45151149

IUPAC2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C26H23N3OS/c1-18-8-10-21(11-9-18)25-16-23(20-12-14-22(30-2)15-13-20)28-29(25)26-27-24(17-31-26)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3
InChIKeyXUCRODLSENDNGL-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.48
Rot. Bonds5

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

2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 45151149) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID45151149
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC Name2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C26H23N3OS/c1-18-8-10-21(11-9-18)25-16-23(20-12-14-22(30-2)15-13-20)28-29(25)26-27-24(17-31-26)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3
InChIKeyXUCRODLSENDNGL-UHFFFAOYSA-N
XLogP6.48
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole with MolForge

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Related Compounds

Abafungin
CID 159326
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-{4-[(4-Methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
CID 145704648
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
4-(4-Methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 3889772
2-(2-Cyclopentylidenehydrazinyl)-4-(4-methoxyphenyl)thiazole
CID 25193423
2-[5-(4-Bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690380
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706125
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311
N,5-dibenzyl-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706819
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 72706878
N3-(4-methoxybenzylidene)-N4-(4-methylthiazol-2-yl)-2-phenylquinazoline-3,4-(4H)-diamine (8c)
CID 126842767

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 45151149) is 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is XUCRODLSENDNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c1-18-8-10-21(11-9-18)25-16-23(20-12-14-22(30-2)15-13-20)28-29(25)26-27-24(17-31-26)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 425.56 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 45151149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).