diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate

C11H15N3O4S — CID 46398262

IUPACdiethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate
SMILESCCOC(=O)C(=NNc1nc(C)cs1)C(=O)OCC
InChIInChI=1S/C11H15N3O4S/c1-4-17-9(15)8(10(16)18-5-2)13-14-11-12-7(3)6-19-11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyDHBZXVWPLXERGN-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.35
Rot. Bonds6

About diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate

diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate (PubChem CID 46398262) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate
PubChem CID46398262
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namediethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate
SMILESCCOC(=O)C(=NNc1nc(C)cs1)C(=O)OCC
InChIInChI=1S/C11H15N3O4S/c1-4-17-9(15)8(10(16)18-5-2)13-14-11-12-7(3)6-19-11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyDHBZXVWPLXERGN-UHFFFAOYSA-N
XLogP1.35
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

ethyl 2-cyano-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enoate
CID 53397784
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 91823777
ethyl 4-[2-methoxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]butanoate
CID 168618726
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pent-2-enamide
CID 75895895
ethyl (2E)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 7661905
2-amino-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 60849111
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
ethyl 2-[5-bromo-2-ethoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168618804
ethyl 2-[5-chloro-2-ethoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168618891
2-[5-bromo-2-ethoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168618818

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate?
The IUPAC name of diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate (CID 46398262) is diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate.
What is the SMILES notation for diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate?
The canonical SMILES for diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate is CCOC(=O)C(=NNc1nc(C)cs1)C(=O)OCC.
What is the InChIKey of diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate?
The InChIKey is DHBZXVWPLXERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-4-17-9(15)8(10(16)18-5-2)13-14-11-12-7(3)6-19-11/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate?
diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate has a molecular weight of 285.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate is sourced from PubChem (CID 46398262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).