methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate

C11H11N3O3S — CID 110539912

IUPACmethyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N/N=C\c2ccco2)n1
InChIInChI=1S/C11H11N3O3S/c1-16-10(15)5-8-7-18-11(13-8)14-12-6-9-3-2-4-17-9/h2-4,6-7H,5H2,1H3,(H,13,14)/b12-6-
InChIKeyIMMRVCMRTHDSMI-SDQBBNPISA-N
MW265.29 g/mol
LogP1.90
Rot. Bonds5

About methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 110539912) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID110539912
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Namemethyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N/N=C\c2ccco2)n1
InChIInChI=1S/C11H11N3O3S/c1-16-10(15)5-8-7-18-11(13-8)14-12-6-9-3-2-4-17-9/h2-4,6-7H,5H2,1H3,(H,13,14)/b12-6-
InChIKeyIMMRVCMRTHDSMI-SDQBBNPISA-N
XLogP1.90
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623022
methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539505
4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110537229
methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110536795
methyl 2-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110536796
methyl 2-[2-[(2Z)-2-[(3,5-dichloro-4-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110532323
ethyl 2-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
2-[2-[(2E)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]acetohydrazide
CID 39912007
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7814134
ethyl 2-[2-[2-[(2,3,4,5,6-pentamethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623365
ethyl 2-[2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5350042

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 110539912) is methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N/N=C\c2ccco2)n1.
What is the InChIKey of methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is IMMRVCMRTHDSMI-SDQBBNPISA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-16-10(15)5-8-7-18-11(13-8)14-12-6-9-3-2-4-17-9/h2-4,6-7H,5H2,1H3,(H,13,14)/b12-6-.
What are the key properties of methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 265.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 110539912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).