N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide

C11H9N5OS — CID 58925819

IUPACN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide
SMILESNc1[nH]nc2nc(NC(=O)c3ccccc3)sc12
InChIInChI=1S/C11H9N5OS/c12-8-7-9(16-15-8)13-11(18-7)14-10(17)6-4-2-1-3-5-6/h1-5H,(H4,12,13,14,15,16,17)
InChIKeyVPSBNPZZYLQZJY-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.85
Rot. Bonds2

About N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide

N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide (PubChem CID 58925819) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide
PubChem CID58925819
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC NameN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide
SMILESNc1[nH]nc2nc(NC(=O)c3ccccc3)sc12
InChIInChI=1S/C11H9N5OS/c12-8-7-9(16-15-8)13-11(18-7)14-10(17)6-4-2-1-3-5-6/h1-5H,(H4,12,13,14,15,16,17)
InChIKeyVPSBNPZZYLQZJY-UHFFFAOYSA-N
XLogP1.85
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
CID 58925692
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
CID 5051635
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-[4-amino-5-(cyclopropanecarbonyl)-1,3-thiazol-2-yl]benzamide
CID 59974584
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 171486825
3-benzamido-1H-1,2,4-triazole-5-carboxylic acid
CID 4299117
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide
CID 58925856
N-(7-nitro-1,3-benzothiazol-2-yl)benzamide
CID 13481964

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide?
The IUPAC name of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide (CID 58925819) is N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide.
What is the SMILES notation for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide?
The canonical SMILES for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide is Nc1[nH]nc2nc(NC(=O)c3ccccc3)sc12.
What is the InChIKey of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide?
The InChIKey is VPSBNPZZYLQZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c12-8-7-9(16-15-8)13-11(18-7)14-10(17)6-4-2-1-3-5-6/h1-5H,(H4,12,13,14,15,16,17).
What are the key properties of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide?
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide has a molecular weight of 259.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide is sourced from PubChem (CID 58925819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).