ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate

C14H15N3O2S — CID 13157648

IUPACethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H15N3O2S/c1-3-19-13(18)10(2)16-17-14-15-12(9-20-14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,17)/b16-10+
InChIKeyVLAZDXAPQZJOOX-MHWRWJLKSA-N
MW289.36 g/mol
LogP3.16
Rot. Bonds5

About ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate

ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate (PubChem CID 13157648) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
PubChem CID13157648
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Nameethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
SMILESCCOC(=O)/C(C)=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H15N3O2S/c1-3-19-13(18)10(2)16-17-14-15-12(9-20-14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,17)/b16-10+
InChIKeyVLAZDXAPQZJOOX-MHWRWJLKSA-N
XLogP3.16
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
diethyl 2-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]propanedioate
CID 46398262
4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
CID 2875908
2-[(E)-C-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]benzene-1,3,5-triol
CID 136627447
ethyl 2-oxo-2-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]acetate
CID 3068160
ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 13177556
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
CID 59364038
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 23102412
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714
ethyl 2-[2-ethoxy-6-iodo-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168578386

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate?
The IUPAC name of ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate (CID 13157648) is ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate is CCOC(=O)/C(C)=N/Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate?
The InChIKey is VLAZDXAPQZJOOX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-19-13(18)10(2)16-17-14-15-12(9-20-14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,15,17)/b16-10+.
What are the key properties of ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate?
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate has a molecular weight of 289.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate is sourced from PubChem (CID 13157648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).