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

C21H21N3OS — CID 156784859

IUPAC2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1C1=NN(c2nc(C)cs2)C(c2ccccc2C)C1
InChIInChI=1S/C21H21N3OS/c1-14-8-4-5-9-16(14)19-12-18(17-10-6-7-11-20(17)25-3)23-24(19)21-22-15(2)13-26-21/h4-11,13,19H,12H2,1-3H3
InChIKeyGOZRSWNXTUWLDW-UHFFFAOYSA-N
MW363.49 g/mol
LogP5.12
Rot. Bonds4

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

2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (PubChem CID 156784859) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
PubChem CID156784859
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1C1=NN(c2nc(C)cs2)C(c2ccccc2C)C1
InChIInChI=1S/C21H21N3OS/c1-14-8-4-5-9-16(14)19-12-18(17-10-6-7-11-20(17)25-3)23-24(19)21-22-15(2)13-26-21/h4-11,13,19H,12H2,1-3H3
InChIKeyGOZRSWNXTUWLDW-UHFFFAOYSA-N
XLogP5.12
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
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
1-Benzyl-4-[4-(3-methoxy-phenyl)-thiazol-2-yl]-piperazine
CID 653037
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine
CID 680797
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
N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 71741164

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (CID 156784859) is 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is COc1ccccc1C1=NN(c2nc(C)cs2)C(c2ccccc2C)C1.
What is the InChIKey of 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is GOZRSWNXTUWLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-14-8-4-5-9-16(14)19-12-18(17-10-6-7-11-20(17)25-3)23-24(19)21-22-15(2)13-26-21/h4-11,13,19H,12H2,1-3H3.
What are the key properties of 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 363.49 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 156784859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).