6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole

C24H21N3S — CID 139217682

IUPAC6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole
SMILESCc1ccc(C2CC(c3ccccc3)=NN2c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C24H21N3S/c1-16-8-11-19(12-9-16)22-15-21(18-6-4-3-5-7-18)26-27(22)24-25-20-13-10-17(2)14-23(20)28-24/h3-14,22H,15H2,1-2H3
InChIKeyUKFKGDGNWQVHJI-UHFFFAOYSA-N
MW383.52 g/mol
LogP6.27
Rot. Bonds3

About 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole

6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole (PubChem CID 139217682) has the molecular formula C24H21N3S and a molecular weight of 383.52 g/mol. Its IUPAC name is 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole
PubChem CID139217682
Molecular FormulaC24H21N3S
Molecular Weight383.52 g/mol
Exact Mass383.15
IUPAC Name6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole
SMILESCc1ccc(C2CC(c3ccccc3)=NN2c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C24H21N3S/c1-16-8-11-19(12-9-16)22-15-21(18-6-4-3-5-7-18)26-27(22)24-25-20-13-10-17(2)14-23(20)28-24/h3-14,22H,15H2,1-2H3
InChIKeyUKFKGDGNWQVHJI-UHFFFAOYSA-N
XLogP6.27
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1,3-benzothiazol-2-yl)-5-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 102165844
2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-benzothiazole
CID 101383994
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25360474
2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 97353782
ethyl 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazole-4-carboxylate
CID 71493088
2-[(3S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 98119816
4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
CID 126478151
2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25277062
2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
CID 43835715
4-[(3R)-2-(6-chloro-4-phenylquinazolin-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 40916471
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole (CID 139217682) is 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole is Cc1ccc(C2CC(c3ccccc3)=NN2c2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole?
The InChIKey is UKFKGDGNWQVHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3S/c1-16-8-11-19(12-9-16)22-15-21(18-6-4-3-5-7-18)26-27(22)24-25-20-13-10-17(2)14-23(20)28-24/h3-14,22H,15H2,1-2H3.
What are the key properties of 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole?
6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole has a molecular weight of 383.52 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 139217682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).