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

C13H13N5O2S — CID 65355459

IUPAC4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(N)cnn3C)sc2c1
InChIInChI=1S/C13H13N5O2S/c1-18-11(8(14)6-15-18)12(19)17-13-16-9-4-3-7(20-2)5-10(9)21-13/h3-6H,14H2,1-2H3,(H,16,17,19)
InChIKeyAUFOQXHPNNCTEY-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.87
Rot. Bonds3

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

4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 65355459) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID65355459
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(N)cnn3C)sc2c1
InChIInChI=1S/C13H13N5O2S/c1-18-11(8(14)6-15-18)12(19)17-13-16-9-4-3-7(20-2)5-10(9)21-13/h3-6H,14H2,1-2H3,(H,16,17,19)
InChIKeyAUFOQXHPNNCTEY-UHFFFAOYSA-N
XLogP1.87
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51052754
5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617590
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691334
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18126513
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19475855
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702338
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide (CID 65355459) is 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide is COc1ccc2nc(NC(=O)c3c(N)cnn3C)sc2c1.
What is the InChIKey of 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is AUFOQXHPNNCTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-18-11(8(14)6-15-18)12(19)17-13-16-9-4-3-7(20-2)5-10(9)21-13/h3-6H,14H2,1-2H3,(H,16,17,19).
What are the key properties of 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65355459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).