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

C12H11N5OS — CID 28742337

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc3ccc(N)cc3s2)cn1
InChIInChI=1S/C12H11N5OS/c1-17-6-7(5-14-17)11(18)16-12-15-9-3-2-8(13)4-10(9)19-12/h2-6H,13H2,1H3,(H,15,16,18)
InChIKeyFXISZZLQGIZSOL-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.86
Rot. Bonds2

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

N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 28742337) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID28742337
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc3ccc(N)cc3s2)cn1
InChIInChI=1S/C12H11N5OS/c1-17-6-7(5-14-17)11(18)16-12-15-9-3-2-8(13)4-10(9)19-12/h2-6H,13H2,1H3,(H,15,16,18)
InChIKeyFXISZZLQGIZSOL-UHFFFAOYSA-N
XLogP1.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylimidazole-4-carboxamide
CID 103510257
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
CID 107959275
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 51099308
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 24692699
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide (CID 28742337) is N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nc3ccc(N)cc3s2)cn1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is FXISZZLQGIZSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-17-6-7(5-14-17)11(18)16-12-15-9-3-2-8(13)4-10(9)19-12/h2-6H,13H2,1H3,(H,15,16,18).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 28742337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).