ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate

C12H16N4O2S — CID 103507819

IUPACethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCc2cnn(C)c2)cc1N
InChIInChI=1S/C12H16N4O2S/c1-3-18-12(17)11-9(13)4-10(19-11)14-5-8-6-15-16(2)7-8/h4,6-7,14H,3,5,13H2,1-2H3
InChIKeyRDCWQSFINOWXAE-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.85
Rot. Bonds5

About ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate

ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate (PubChem CID 103507819) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
PubChem CID103507819
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Nameethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCc2cnn(C)c2)cc1N
InChIInChI=1S/C12H16N4O2S/c1-3-18-12(17)11-9(13)4-10(19-11)14-5-8-6-15-16(2)7-8/h4,6-7,14H,3,5,13H2,1-2H3
InChIKeyRDCWQSFINOWXAE-UHFFFAOYSA-N
XLogP1.85
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate 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

3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
ethyl 5-acetyl-2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 107377556
methyl 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 106044826
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003
methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507781
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
diethyl 3-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]thiophene-2,4-dicarboxylate
CID 31906804
ethyl 4-amino-3-[2-(1-methylpyrazol-4-yl)ethylamino]benzoate
CID 82778103
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
CID 103506198

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate (CID 103507819) is ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate is CCOC(=O)c1sc(NCc2cnn(C)c2)cc1N.
What is the InChIKey of ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate?
The InChIKey is RDCWQSFINOWXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-18-12(17)11-9(13)4-10(19-11)14-5-8-6-15-16(2)7-8/h4,6-7,14H,3,5,13H2,1-2H3.
What are the key properties of ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate?
ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate is sourced from PubChem (CID 103507819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).