2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide

C8H10N6S — CID 170733892

IUPAC2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide
SMILESNN/N=C(\N)c1ccc2nc(N)sc2c1
InChIInChI=1S/C8H10N6S/c9-7(13-14-11)4-1-2-5-6(3-4)15-8(10)12-5/h1-3,14H,11H2,(H2,9,13)(H2,10,12)
InChIKeyPBFQJUMFRDYSFY-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.04
Rot. Bonds2

About 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide

2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide (PubChem CID 170733892) has the molecular formula C8H10N6S and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide.

Molecular Properties

Compound Name2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide
PubChem CID170733892
Molecular FormulaC8H10N6S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide
SMILESNN/N=C(\N)c1ccc2nc(N)sc2c1
InChIInChI=1S/C8H10N6S/c9-7(13-14-11)4-1-2-5-6(3-4)15-8(10)12-5/h1-3,14H,11H2,(H2,9,13)(H2,10,12)
InChIKeyPBFQJUMFRDYSFY-UHFFFAOYSA-N
XLogP-0.04
TPSA115.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(diaminomethylidene)-1,3-benzothiazole-6-carboxamide
CID 15290270
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
(NE)-N-[1-(2-amino-1,3-benzothiazol-6-yl)ethylidene]hydroxylamine
CID 86767320
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
[(2R)-1-methoxy-1-oxopropan-2-yl] 2-amino-1,3-benzothiazole-6-carboxylate
CID 40690252
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 3147262

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide?
The IUPAC name of 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide (CID 170733892) is 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide.
What is the SMILES notation for 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide?
The canonical SMILES for 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide is NN/N=C(\N)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide?
The InChIKey is PBFQJUMFRDYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S/c9-7(13-14-11)4-1-2-5-6(3-4)15-8(10)12-5/h1-3,14H,11H2,(H2,9,13)(H2,10,12).
What are the key properties of 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide?
2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide has a molecular weight of 222.28 g/mol, XLogP of -0.04, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide is sourced from PubChem (CID 170733892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).