N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide

C14H14N6O2S — CID 110452114

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cnn(C)c3N)sc2c1
InChIInChI=1S/C14H14N6O2S/c1-7(21)17-8-3-4-10-11(5-8)23-14(18-10)19-13(22)9-6-16-20(2)12(9)15/h3-6H,15H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKeyNKKKJBBUZSUJIG-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.82
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide (PubChem CID 110452114) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide
PubChem CID110452114
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cnn(C)c3N)sc2c1
InChIInChI=1S/C14H14N6O2S/c1-7(21)17-8-3-4-10-11(5-8)23-14(18-10)19-13(22)9-6-16-20(2)12(9)15/h3-6H,15H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKeyNKKKJBBUZSUJIG-UHFFFAOYSA-N
XLogP1.82
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 4622508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
N-(6-acetamido-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839281
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 167809163
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 51090475
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide (CID 110452114) is N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3cnn(C)c3N)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide?
The InChIKey is NKKKJBBUZSUJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-7(21)17-8-3-4-10-11(5-8)23-14(18-10)19-13(22)9-6-16-20(2)12(9)15/h3-6H,15H2,1-2H3,(H,17,21)(H,18,19,22).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-5-amino-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110452114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).