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

C26H23N3O2S — CID 45151203

IUPAC2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C26H23N3O2S/c1-30-21-12-8-19(9-13-21)23-16-25(20-10-14-22(31-2)15-11-20)29(28-23)26-27-24(17-32-26)18-6-4-3-5-7-18/h3-15,17,25H,16H2,1-2H3
InChIKeyUYTJBJPLDXRSJS-UHFFFAOYSA-N
MW441.56 g/mol
LogP6.18
Rot. Bonds6

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

2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 45151203) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID45151203
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESCOc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C26H23N3O2S/c1-30-21-12-8-19(9-13-21)23-16-25(20-10-14-22(31-2)15-11-20)29(28-23)26-27-24(17-32-26)18-6-4-3-5-7-18/h3-15,17,25H,16H2,1-2H3
InChIKeyUYTJBJPLDXRSJS-UHFFFAOYSA-N
XLogP6.18
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
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
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 2620735
4-(4-Methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 3889772
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
2-(2-Cyclopentylidenehydrazinyl)-4-(4-methoxyphenyl)thiazole
CID 25193423
N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 45151203) is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is UYTJBJPLDXRSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-30-21-12-8-19(9-13-21)23-16-25(20-10-14-22(31-2)15-11-20)29(28-23)26-27-24(17-32-26)18-6-4-3-5-7-18/h3-15,17,25H,16H2,1-2H3.
What are the key properties of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 441.56 g/mol, XLogP of 6.18, 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-phenyl-1,3-thiazole is sourced from PubChem (CID 45151203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).