N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide

C19H16N4O2S — CID 2333943

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c1-12-11-17(21-18(24)13-7-3-5-9-15(13)25-2)23(22-12)19-20-14-8-4-6-10-16(14)26-19/h3-11H,1-2H3,(H,21,24)
InChIKeySKBAWJMZAHJZPL-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.05
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide (PubChem CID 2333943) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
PubChem CID2333943
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c1-12-11-17(21-18(24)13-7-3-5-9-15(13)25-2)23(22-12)19-20-14-8-4-6-10-16(14)26-19/h3-11H,1-2H3,(H,21,24)
InChIKeySKBAWJMZAHJZPL-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

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-chlorobenzamide
CID 2381036
2-fluoro-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 27378406
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-5-bromothiophene-2-carboxamide
CID 27378363
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 27378391
2-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-5-methylpyrazol-3-amine
CID 2421626
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 27378367
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108755100
(Z)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 108755058
4-(dimethylamino)-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 27378409
N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108810627
2-chloro-6-fluoro-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 108731525

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide (CID 2333943) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is SKBAWJMZAHJZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-11-17(21-18(24)13-7-3-5-9-15(13)25-2)23(22-12)19-20-14-8-4-6-10-16(14)26-19/h3-11H,1-2H3,(H,21,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide 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-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 2333943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).