methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

C12H13N3O3S — CID 110539505

IUPACmethyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N/N=C\c2ccc(C)o2)n1
InChIInChI=1S/C12H13N3O3S/c1-8-3-4-10(18-8)6-13-15-12-14-9(7-19-12)5-11(16)17-2/h3-4,6-7H,5H2,1-2H3,(H,14,15)/b13-6-
InChIKeyYWUKEUORBNVQRW-MLPAPPSSSA-N
MW279.32 g/mol
LogP2.21
Rot. Bonds5

About methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 110539505) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID110539505
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Namemethyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N/N=C\c2ccc(C)o2)n1
InChIInChI=1S/C12H13N3O3S/c1-8-3-4-10(18-8)6-13-15-12-14-9(7-19-12)5-11(16)17-2/h3-4,6-7H,5H2,1-2H3,(H,14,15)/b13-6-
InChIKeyYWUKEUORBNVQRW-MLPAPPSSSA-N
XLogP2.21
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.21
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-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539912
4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
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
ethyl 2-[2-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 40570282
methyl 2-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110537229
ethyl 2-[2-[2-[(4-dodecoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624158
ethyl 3-[4-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenoxy]propanoate
CID 168624513
methyl 2-[2-[(2Z)-2-[(3,5-dichloro-4-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110532323
ethyl 2-[2-[2-[[4-(4-fluorophenoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622744
ethyl 2-[2-[2-[(2,3,4,5,6-pentamethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623365
ethyl 2-[2-[2-[[4-(1,3-dioxolan-2-ylmethoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623108

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 110539505) is methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N/N=C\c2ccc(C)o2)n1.
What is the InChIKey of methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is YWUKEUORBNVQRW-MLPAPPSSSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-3-4-10(18-8)6-13-15-12-14-9(7-19-12)5-11(16)17-2/h3-4,6-7H,5H2,1-2H3,(H,14,15)/b13-6-.
What are the key properties of methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 279.32 g/mol, XLogP of 2.21, 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-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 110539505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).