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

C14H19N3O2S — CID 5061549

IUPACethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NNC=C2CC=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/h3-4,9-10,15H,2,5-8H2,1H3,(H,16,17)
InChIKeyNAZFSFQWTAHDQU-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.79
Rot. Bonds6

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

ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 5061549) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID5061549
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NNC=C2CC=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/h3-4,9-10,15H,2,5-8H2,1H3,(H,16,17)
InChIKeyNAZFSFQWTAHDQU-UHFFFAOYSA-N
XLogP2.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 7245225
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
(Z)-4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 2323320
sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
CID 174221224
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 5061549) is ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NNC=C2CC=CCC2)n1.
What is the InChIKey of ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is NAZFSFQWTAHDQU-UHFFFAOYSA-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/h3-4,9-10,15H,2,5-8H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 293.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 5061549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).