N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide

C19H16N4OS — CID 42110510

IUPACN-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C19H16N4OS/c1-22-16(11-12-20-22)18(24)23(13-14-7-3-2-4-8-14)19-21-15-9-5-6-10-17(15)25-19/h2-12H,13H2,1H3
InChIKeyKDCCYYFODXFUSF-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.88
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide

N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide (PubChem CID 42110510) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide
PubChem CID42110510
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C19H16N4OS/c1-22-16(11-12-20-22)18(24)23(13-14-7-3-2-4-8-14)19-21-15-9-5-6-10-17(15)25-19/h2-12H,13H2,1H3
InChIKeyKDCCYYFODXFUSF-UHFFFAOYSA-N
XLogP3.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide (CID 42110510) is N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide?
The InChIKey is KDCCYYFODXFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-22-16(11-12-20-22)18(24)23(13-14-7-3-2-4-8-14)19-21-15-9-5-6-10-17(15)25-19/h2-12H,13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-benzyl-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).