2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide

C9H10N4OS — CID 3076156

IUPAC2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide
SMILES[H]/N=c1\sc2ccccc2n1CC(=O)NN
InChIInChI=1S/C9H10N4OS/c10-9-13(5-8(14)12-11)6-3-1-2-4-7(6)15-9/h1-4,10H,5,11H2,(H,12,14)/b10-9-
InChIKeyDYIGPKKSBKEOHH-KTKRTIGZSA-N
MW222.27 g/mol
LogP0.17
Rot. Bonds2

About 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide

2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide (PubChem CID 3076156) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide
PubChem CID3076156
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide
SMILES[H]/N=c1\sc2ccccc2n1CC(=O)NN
InChIInChI=1S/C9H10N4OS/c10-9-13(5-8(14)12-11)6-3-1-2-4-7(6)15-9/h1-4,10H,5,11H2,(H,12,14)/b10-9-
InChIKeyDYIGPKKSBKEOHH-KTKRTIGZSA-N
XLogP0.17
TPSA83.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-imino-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone
CID 2313020
2-(2-imino-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide
CID 11682056
1-[[2-(2-imino-1,3-benzothiazol-3-yl)acetyl]amino]-3-prop-2-enylthiourea
CID 3377705
3-benzyl-1,3-benzothiazol-2-imine
CID 677566
3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide
CID 6886321
ethyl (2R)-2-(2-imino-1,3-benzothiazol-3-yl)propanoate
CID 129411918
3-ethyl-1,3-benzothiazol-2-imine;4-methylbenzenesulfonic acid
CID 86261727
2-(2-oxo-1,3-benzothiazol-3-yl)ethanimidamide
CID 20545506
methyl 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)acetate;hydrobromide
CID 71778886
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
CID 14221224
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetohydrazide
CID 71575518

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide?
The IUPAC name of 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide (CID 3076156) is 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide?
The canonical SMILES for 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide is [H]/N=c1\sc2ccccc2n1CC(=O)NN.
What is the InChIKey of 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide?
The InChIKey is DYIGPKKSBKEOHH-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H10N4OS/c10-9-13(5-8(14)12-11)6-3-1-2-4-7(6)15-9/h1-4,10H,5,11H2,(H,12,14)/b10-9-.
What are the key properties of 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide?
2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide has a molecular weight of 222.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide is sourced from PubChem (CID 3076156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).