N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide

C24H18N4OS — CID 19281302

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1
InChIInChI=1S/C24H18N4OS/c1-16-12-13-20-21(14-16)30-24(25-20)26-23(29)19-15-28(18-10-6-3-7-11-18)27-22(19)17-8-4-2-5-9-17/h2-15H,1H3,(H,25,26,29)
InChIKeyCTWYFCWLZHLKTO-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.71
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281302) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281302
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1
InChIInChI=1S/C24H18N4OS/c1-16-12-13-20-21(14-16)30-24(25-20)26-23(29)19-15-28(18-10-6-3-7-11-18)27-22(19)17-8-4-2-5-9-17/h2-15H,1H3,(H,25,26,29)
InChIKeyCTWYFCWLZHLKTO-UHFFFAOYSA-N
XLogP5.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide (CID 19281302) is N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide is Cc1ccc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is CTWYFCWLZHLKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-16-12-13-20-21(14-16)30-24(25-20)26-23(29)19-15-28(18-10-6-3-7-11-18)27-22(19)17-8-4-2-5-9-17/h2-15H,1H3,(H,25,26,29).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).