5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide

C11H9N5OS — CID 45482651

IUPAC5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H9N5OS/c12-9-6(5-13-16-9)10(17)15-11-14-7-3-1-2-4-8(7)18-11/h1-5H,(H3,12,13,16)(H,14,15,17)
InChIKeyLYOFVDRZNFOVSH-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.85
Rot. Bonds2

About 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide

5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 45482651) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID45482651
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H9N5OS/c12-9-6(5-13-16-9)10(17)15-11-14-7-3-1-2-4-8(7)18-11/h1-5H,(H3,12,13,16)(H,14,15,17)
InChIKeyLYOFVDRZNFOVSH-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

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CID 828314
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2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
2-amino-N-(1,3-benzothiazol-2-yl)-5-bromopyridine-3-carboxamide
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2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
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CID 106501274
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CID 63187259

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide (CID 45482651) is 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is LYOFVDRZNFOVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c12-9-6(5-13-16-9)10(17)15-11-14-7-3-1-2-4-8(7)18-11/h1-5H,(H3,12,13,16)(H,14,15,17).
What are the key properties of 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide?
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide 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 5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 45482651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).