ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate

C14H19N3O2S — CID 729207

IUPACethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NN=C[C@@H]2CC=CCC2)nc1C
InChIInChI=1S/C14H19N3O2S/c1-3-19-13(18)12-10(2)16-14(20-12)17-15-9-11-7-5-4-6-8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyPIHVLXPTAZLJNE-LLVKDONJSA-N
MW293.39 g/mol
LogP3.38
Rot. Bonds5

About ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 729207) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID729207
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NN=C[C@@H]2CC=CCC2)nc1C
InChIInChI=1S/C14H19N3O2S/c1-3-19-13(18)12-10(2)16-14(20-12)17-15-9-11-7-5-4-6-8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyPIHVLXPTAZLJNE-LLVKDONJSA-N
XLogP3.38
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.38
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'}

Analyze ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[2-[(2E)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 7245225
ethyl 2-[(2Z)-2-[(4-ethoxycarbonylphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 124748851
ethyl 2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3562990
(1R,6R)-6-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 741145
ethyl 2-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136919706
ethyl 4-methyl-2-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 5398827
ethyl 4-methyl-2-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 171131857
ethyl 2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 137054747
ethyl 2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40548236
ethyl 2-[(2E)-2-[[5-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 135592307
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 729207) is ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NN=C[C@@H]2CC=CCC2)nc1C.
What is the InChIKey of ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PIHVLXPTAZLJNE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-19-13(18)12-10(2)16-14(20-12)17-15-9-11-7-5-4-6-8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 729207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).