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

C10H7N5OS2 — CID 65214484

IUPACN-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
SMILESNc1ccc2nc(NC(=O)c3csnn3)sc2c1
InChIInChI=1S/C10H7N5OS2/c11-5-1-2-6-8(3-5)18-10(12-6)13-9(16)7-4-17-15-14-7/h1-4H,11H2,(H,12,13,16)
InChIKeyAZCSPHRDGIIFOE-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.98
Rot. Bonds2

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

N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide (PubChem CID 65214484) has the molecular formula C10H7N5OS2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
PubChem CID65214484
Molecular FormulaC10H7N5OS2
Molecular Weight277.33 g/mol
Exact Mass277.01
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
SMILESNc1ccc2nc(NC(=O)c3csnn3)sc2c1
InChIInChI=1S/C10H7N5OS2/c11-5-1-2-6-8(3-5)18-10(12-6)13-9(16)7-4-17-15-14-7/h1-4H,11H2,(H,12,13,16)
InChIKeyAZCSPHRDGIIFOE-UHFFFAOYSA-N
XLogP1.98
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 17012662
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
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)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
CID 62503891
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide (CID 65214484) is N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide is Nc1ccc2nc(NC(=O)c3csnn3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide?
The InChIKey is AZCSPHRDGIIFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS2/c11-5-1-2-6-8(3-5)18-10(12-6)13-9(16)7-4-17-15-14-7/h1-4H,11H2,(H,12,13,16).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 65214484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).