2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole

C26H22ClN3O2S — CID 2839887

IUPAC2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C26H22ClN3O2S/c1-31-21-11-5-17(6-12-21)23-15-25(19-7-13-22(32-2)14-8-19)30(29-23)26-28-24(16-33-26)18-3-9-20(27)10-4-18/h3-14,16,25H,15H2,1-2H3
InChIKeyYXVBOGLUQYWVNZ-UHFFFAOYSA-N
MW476.00 g/mol
LogP6.84
Rot. Bonds6

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

2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole (PubChem CID 2839887) has the molecular formula C26H22ClN3O2S and a molecular weight of 476.00 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
PubChem CID2839887
Molecular FormulaC26H22ClN3O2S
Molecular Weight476.00 g/mol
Exact Mass475.11
IUPAC Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C26H22ClN3O2S/c1-31-21-11-5-17(6-12-21)23-15-25(19-7-13-22(32-2)14-8-19)30(29-23)26-28-24(16-33-26)18-3-9-20(27)10-4-18/h3-14,16,25H,15H2,1-2H3
InChIKeyYXVBOGLUQYWVNZ-UHFFFAOYSA-N
XLogP6.84
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.00
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311
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
5-benzyl-4-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 118712410
5-benzyl-4-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiazol-2-amine
CID 118713013
4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenol
CID 118728575
2-[5-(3,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 17589777
2-[5-(3,4-Dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 46936027
5-benzyl-N-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706940

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole?
The IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole (CID 2839887) is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole is COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole?
The InChIKey is YXVBOGLUQYWVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2S/c1-31-21-11-5-17(6-12-21)23-15-25(19-7-13-22(32-2)14-8-19)30(29-23)26-28-24(16-33-26)18-3-9-20(27)10-4-18/h3-14,16,25H,15H2,1-2H3.
What are the key properties of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole?
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole has a molecular weight of 476.00 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 2839887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).