3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide

C10H13N5OS — CID 6886321

IUPAC3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide
SMILESN/N=c1\sc2ccccc2n1CCC(=O)NN
InChIInChI=1S/C10H13N5OS/c11-13-9(16)5-6-15-7-3-1-2-4-8(7)17-10(15)14-12/h1-4H,5-6,11-12H2,(H,13,16)/b14-10-
InChIKeyHUELETDMFXXIGM-UVTDQMKNSA-N
MW251.31 g/mol
LogP-0.14
Rot. Bonds3

About 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide

3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide (PubChem CID 6886321) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide.

Molecular Properties

Compound Name3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide
PubChem CID6886321
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide
SMILESN/N=c1\sc2ccccc2n1CCC(=O)NN
InChIInChI=1S/C10H13N5OS/c11-13-9(16)5-6-15-7-3-1-2-4-8(7)17-10(15)14-12/h1-4H,5-6,11-12H2,(H,13,16)/b14-10-
InChIKeyHUELETDMFXXIGM-UVTDQMKNSA-N
XLogP-0.14
TPSA98.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)acetohydrazide
CID 3076156
ethyl 3-[2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8611914
methyl 3-[2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8611851
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 3511357
1-(3-butyl-1,3-benzothiazol-2-ylidene)-3-methoxyurea
CID 54382119
ethyl 3-[2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8611682
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal
CID 175534018
ethyl 4-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]butanoate
CID 142713472
(NE)-N-(3-propyl-1,3-benzothiazol-2-ylidene)nitrous amide
CID 6067375
N-(3,3-diphenylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 7455270

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide?
The IUPAC name of 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide (CID 6886321) is 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide.
What is the SMILES notation for 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide?
The canonical SMILES for 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide is N/N=c1\sc2ccccc2n1CCC(=O)NN.
What is the InChIKey of 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide?
The InChIKey is HUELETDMFXXIGM-UVTDQMKNSA-N. The full InChI is InChI=1S/C10H13N5OS/c11-13-9(16)5-6-15-7-3-1-2-4-8(7)17-10(15)14-12/h1-4H,5-6,11-12H2,(H,13,16)/b14-10-.
What are the key properties of 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide?
3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide has a molecular weight of 251.31 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide is sourced from PubChem (CID 6886321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).