2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide

C12H13N5OS — CID 39912007

IUPAC2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide
SMILESNNC(=O)Cc1csc(N/N=C/c2ccccc2)n1
InChIInChI=1S/C12H13N5OS/c13-16-11(18)6-10-8-19-12(15-10)17-14-7-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2,(H,15,17)(H,16,18)/b14-7+
InChIKeyGEASDCVQGADEGP-VGOFMYFVSA-N
MW275.34 g/mol
LogP1.12
Rot. Bonds5

About 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide

2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide (PubChem CID 39912007) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide
PubChem CID39912007
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide
SMILESNNC(=O)Cc1csc(N/N=C/c2ccccc2)n1
InChIInChI=1S/C12H13N5OS/c13-16-11(18)6-10-8-19-12(15-10)17-14-7-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2,(H,15,17)(H,16,18)/b14-7+
InChIKeyGEASDCVQGADEGP-VGOFMYFVSA-N
XLogP1.12
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.12
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
ethyl 2-[2-[2-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624897
ethyl 2-[2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5350042
ethyl 2-[2-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 40570282
ethyl 2-[2-[(2Z)-2-[[4-(3-phenylpropoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110531126
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
ethyl 2-[2-[2-[(4-tert-butylsulfanylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625203
ethyl 3-[4-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenoxy]propanoate
CID 168624513
ethyl 2-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]acetate
CID 2787799
ethyl 2-[2-[(2Z)-2-[[3-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110535029
methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539912
N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine
CID 2880844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide?
The IUPAC name of 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide (CID 39912007) is 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide.
What is the SMILES notation for 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide?
The canonical SMILES for 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide is NNC(=O)Cc1csc(N/N=C/c2ccccc2)n1.
What is the InChIKey of 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide?
The InChIKey is GEASDCVQGADEGP-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-16-11(18)6-10-8-19-12(15-10)17-14-7-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2,(H,15,17)(H,16,18)/b14-7+.
What are the key properties of 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide?
2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide has a molecular weight of 275.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide is sourced from PubChem (CID 39912007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).