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

C27H25N3OS — CID 46936027

IUPAC2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C27H25N3OS/c1-18-9-10-22(15-19(18)2)24-16-26(21-11-13-23(31-3)14-12-21)30(29-24)27-28-25(17-32-27)20-7-5-4-6-8-20/h4-15,17,26H,16H2,1-3H3
InChIKeyYBUVLRVXWRFFPY-UHFFFAOYSA-N
MW439.58 g/mol
LogP6.79
Rot. Bonds5

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

2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 46936027) has the molecular formula C27H25N3OS and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID46936027
Molecular FormulaC27H25N3OS
Molecular Weight439.58 g/mol
Exact Mass439.17
IUPAC Name2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C27H25N3OS/c1-18-9-10-22(15-19(18)2)24-16-26(21-11-13-23(31-3)14-12-21)30(29-24)27-28-25(17-32-27)20-7-5-4-6-8-20/h4-15,17,26H,16H2,1-3H3
InChIKeyYBUVLRVXWRFFPY-UHFFFAOYSA-N
XLogP6.79
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 46936083
2-[5-(4-Bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 70690380
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-(2-naphthylmethyl)thiazol-2-amine
CID 72706938
N'-(4-methoxybenzylidene)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 9622500
4-(4-Methoxyphenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150869
2-[5-(4-Chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 45151115
4-(4-Chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936082

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 46936027) is 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is COc1ccc(C2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is YBUVLRVXWRFFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3OS/c1-18-9-10-22(15-19(18)2)24-16-26(21-11-13-23(31-3)14-12-21)30(29-24)27-28-25(17-32-27)20-7-5-4-6-8-20/h4-15,17,26H,16H2,1-3H3.
What are the key properties of 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 439.58 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 46936027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).