N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C17H14N6OS — CID 59406381

IUPACN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccc(-n4cccn4)n3)cc2s1
InChIInChI=1S/C17H14N6OS/c18-17-22-12-6-5-11(9-14(12)25-17)10-19-16(24)13-3-1-4-15(21-13)23-8-2-7-20-23/h1-9H,10H2,(H2,18,22)(H,19,24)
InChIKeyLQOUHODXOXBPEO-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.39
Rot. Bonds4

About N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 59406381) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID59406381
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccc(-n4cccn4)n3)cc2s1
InChIInChI=1S/C17H14N6OS/c18-17-22-12-6-5-11(9-14(12)25-17)10-19-16(24)13-3-1-4-15(21-13)23-8-2-7-20-23/h1-9H,10H2,(H2,18,22)(H,19,24)
InChIKeyLQOUHODXOXBPEO-UHFFFAOYSA-N
XLogP2.39
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 25026534
2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide
CID 59406322
2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-2-phenylpropyl]pyridine-2,6-dicarboxamide
CID 59406393
methyl (2S)-2-[[6-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]pyridine-2-carbonyl]amino]propanoate
CID 59406291
2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide
CID 59406409
N-(2-amino-2-methylpropyl)-6-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119628163
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 59406525
6-pyrazol-1-yl-1,3-benzothiazol-2-amine
CID 82393654
N-[(1-hydroxycyclobutyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 111539645
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-8-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-a]pyridine-2,8-dicarboxamide
CID 59588515
5-(2-amino-1,3-benzothiazol-6-yl)pentan-2-one
CID 116999772

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 59406381) is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Nc1nc2ccc(CNC(=O)c3cccc(-n4cccn4)n3)cc2s1.
What is the InChIKey of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is LQOUHODXOXBPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c18-17-22-12-6-5-11(9-14(12)25-17)10-19-16(24)13-3-1-4-15(21-13)23-8-2-7-20-23/h1-9H,10H2,(H2,18,22)(H,19,24).
What are the key properties of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 59406381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).