ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

C14H19N3O2S — CID 7245225

IUPACethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N/N=C/[C@H]2CC=CCC2)n1
InChIInChI=1S/C14H19N3O2S/c1-2-19-13(18)8-12-10-20-14(16-12)17-15-9-11-6-4-3-5-7-11/h3-4,9-11H,2,5-8H2,1H3,(H,16,17)/b15-9+/t11-/m0/s1
InChIKeyQUIXDZPIYWEBIU-ZRRZQRFHSA-N
MW293.39 g/mol
LogP3.00
Rot. Bonds6

About ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 7245225) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID7245225
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N/N=C/[C@H]2CC=CCC2)n1
InChIInChI=1S/C14H19N3O2S/c1-2-19-13(18)8-12-10-20-14(16-12)17-15-9-11-6-4-3-5-7-11/h3-4,9-11H,2,5-8H2,1H3,(H,16,17)/b15-9+/t11-/m0/s1
InChIKeyQUIXDZPIYWEBIU-ZRRZQRFHSA-N
XLogP3.00
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[2-[(2,3,4,5,6-pentamethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623365
ethyl 2-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]acetate
CID 2787799
ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623123
ethyl 2-[2-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 40570282
ethyl 2-[2-[2-[(2,4,6-triethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624530
ethyl 2-[2-[2-[(4-fluoro-3,5-dimethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624131
ethyl 2-[2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622616
ethyl 2-[2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5350042
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[2-[[4-(1,3-dioxolan-2-ylmethoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623108
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5061549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 7245225) is ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N/N=C/[C@H]2CC=CCC2)n1.
What is the InChIKey of ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is QUIXDZPIYWEBIU-ZRRZQRFHSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-19-13(18)8-12-10-20-14(16-12)17-15-9-11-6-4-3-5-7-11/h3-4,9-11H,2,5-8H2,1H3,(H,16,17)/b15-9+/t11-/m0/s1.
What are the key properties of ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 293.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7245225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).