methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate

C12H12N2O4S2 — CID 125484069

IUPACmethyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NNc1ccsc1C(=O)OC
InChIInChI=1S/C12H12N2O4S2/c1-17-11(15)9-7(3-5-19-9)13-14-8-4-6-20-10(8)12(16)18-2/h3-6,13-14H,1-2H3
InChIKeyGJLRTWHSADFRHG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.82
Rot. Bonds5

About methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate

methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate (PubChem CID 125484069) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
PubChem CID125484069
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Namemethyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NNc1ccsc1C(=O)OC
InChIInChI=1S/C12H12N2O4S2/c1-17-11(15)9-7(3-5-19-9)13-14-8-4-6-20-10(8)12(16)18-2/h3-6,13-14H,1-2H3
InChIKeyGJLRTWHSADFRHG-UHFFFAOYSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate
CID 3130429
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate
CID 2808375
methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 69175818
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
CID 93038584
methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate
CID 59702062
methyl 3-[(2-bromo-3-methylbutanoyl)amino]thiophene-2-carboxylate
CID 43130541

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate (CID 125484069) is methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate is COC(=O)c1sccc1NNc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate?
The InChIKey is GJLRTWHSADFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-17-11(15)9-7(3-5-19-9)13-14-8-4-6-20-10(8)12(16)18-2/h3-6,13-14H,1-2H3.
What are the key properties of methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate?
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate is sourced from PubChem (CID 125484069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).