2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole

C23H17N3S — CID 86163173

IUPAC2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-n3nc(-c4ccccc4)cc3-c3ccccc3)sc2c1
InChIInChI=1S/C23H17N3S/c1-16-12-13-19-22(14-16)27-23(24-19)26-21(18-10-6-3-7-11-18)15-20(25-26)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyLPWIVXKLGUJGIW-UHFFFAOYSA-N
MW367.48 g/mol
LogP6.12
Rot. Bonds3

About 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole

2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole (PubChem CID 86163173) has the molecular formula C23H17N3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole
PubChem CID86163173
Molecular FormulaC23H17N3S
Molecular Weight367.48 g/mol
Exact Mass367.11
IUPAC Name2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-n3nc(-c4ccccc4)cc3-c3ccccc3)sc2c1
InChIInChI=1S/C23H17N3S/c1-16-12-13-19-22(14-16)27-23(24-19)26-21(18-10-6-3-7-11-18)15-20(25-26)17-8-4-2-5-9-17/h2-15H,1H3
InChIKeyLPWIVXKLGUJGIW-UHFFFAOYSA-N
XLogP6.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.48
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 24951183
2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole
CID 774195
1,3,5-triphenylpyrazole
CID 626614
2-indol-1-yl-6-methyl-1,3-benzothiazole
CID 15048330
6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole
CID 139217682
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
[2-(6-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
CID 67116715
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole
CID 177442441
(4-iodophenyl)methyl 2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 24950863
2-[[4-(3,5-diphenylpyrazol-1-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801756

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole (CID 86163173) is 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole is Cc1ccc2nc(-n3nc(-c4ccccc4)cc3-c3ccccc3)sc2c1.
What is the InChIKey of 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole?
The InChIKey is LPWIVXKLGUJGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3S/c1-16-12-13-19-22(14-16)27-23(24-19)26-21(18-10-6-3-7-11-18)15-20(25-26)17-8-4-2-5-9-17/h2-15H,1H3.
What are the key properties of 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole?
2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole has a molecular weight of 367.48 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 86163173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).