methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate

C17H18N4O2S — CID 110536334

IUPACmethyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCc1nc(N/N=C\c2cn(C)c3ccccc23)sc1C(=O)OC
InChIInChI=1S/C17H18N4O2S/c1-4-13-15(16(22)23-3)24-17(19-13)20-18-9-11-10-21(2)14-8-6-5-7-12(11)14/h5-10H,4H2,1-3H3,(H,19,20)/b18-9-
InChIKeyZGERRIRSOIBEMV-NVMNQCDNSA-N
MW342.42 g/mol
LogP3.43
Rot. Bonds5

About methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate

methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate (PubChem CID 110536334) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
PubChem CID110536334
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Namemethyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCCc1nc(N/N=C\c2cn(C)c3ccccc23)sc1C(=O)OC
InChIInChI=1S/C17H18N4O2S/c1-4-13-15(16(22)23-3)24-17(19-13)20-18-9-11-10-21(2)14-8-6-5-7-12(11)14/h5-10H,4H2,1-3H3,(H,19,20)/b18-9-
InChIKeyZGERRIRSOIBEMV-NVMNQCDNSA-N
XLogP3.43
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

4-[(Z)-[(4-ethyl-5-methoxycarbonyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 110536941
methyl 4-ethyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110539054
methyl 4-ethyl-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110538274
methyl 2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1,3-thiazole-5-carboxylate
CID 110532559
methyl 4-ethyl-2-[(2Z)-2-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110533959
methyl 4-ethyl-2-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 136822069
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 74220639
methyl 2-[(2Z)-2-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-ethyl-1,3-thiazole-5-carboxylate
CID 110530981
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110536077
methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
CID 42420688
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5446389

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate (CID 110536334) is methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate is CCc1nc(N/N=C\c2cn(C)c3ccccc23)sc1C(=O)OC.
What is the InChIKey of methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is ZGERRIRSOIBEMV-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-13-15(16(22)23-3)24-17(19-13)20-18-9-11-10-21(2)14-8-6-5-7-12(11)14/h5-10H,4H2,1-3H3,(H,19,20)/b18-9-.
What are the key properties of methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2-[(2Z)-2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110536334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).