N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide

C19H16N4O2S — CID 166156536

IUPACN-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)Nc2nc3ccccc3s2)c1C
InChIInChI=1S/C19H16N4O2S/c1-12-13(11-20-23(12)15-8-4-5-9-16(15)25-2)18(24)22-19-21-14-7-3-6-10-17(14)26-19/h3-11H,1-2H3,(H,21,22,24)
InChIKeyOGSSGWGLMXCONZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.05
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 166156536) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID166156536
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)Nc2nc3ccccc3s2)c1C
InChIInChI=1S/C19H16N4O2S/c1-12-13(11-20-23(12)15-8-4-5-9-16(15)25-2)18(24)22-19-21-14-7-3-6-10-17(14)26-19/h3-11H,1-2H3,(H,21,22,24)
InChIKeyOGSSGWGLMXCONZ-UHFFFAOYSA-N
XLogP4.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide (CID 166156536) is N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide is COc1ccccc1-n1ncc(C(=O)Nc2nc3ccccc3s2)c1C.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is OGSSGWGLMXCONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-13(11-20-23(12)15-8-4-5-9-16(15)25-2)18(24)22-19-21-14-7-3-6-10-17(14)26-19/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166156536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).