methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate

C11H15N3O3S — CID 103424181

IUPACmethyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
SMILESCNc1sc(C(=O)NC2CC2)c(N)c1C(=O)OC
InChIInChI=1S/C11H15N3O3S/c1-13-10-6(11(16)17-2)7(12)8(18-10)9(15)14-5-3-4-5/h5,13H,3-4,12H2,1-2H3,(H,14,15)
InChIKeyOZNMNTWGRUPZJJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.05
Rot. Bonds4

About methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate

methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate (PubChem CID 103424181) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
PubChem CID103424181
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namemethyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
SMILESCNc1sc(C(=O)NC2CC2)c(N)c1C(=O)OC
InChIInChI=1S/C11H15N3O3S/c1-13-10-6(11(16)17-2)7(12)8(18-10)9(15)14-5-3-4-5/h5,13H,3-4,12H2,1-2H3,(H,14,15)
InChIKeyOZNMNTWGRUPZJJ-UHFFFAOYSA-N
XLogP1.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-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-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
CID 103424225
methyl 4-amino-2-(butylamino)-5-(cyclopropylcarbamoyl)thiophene-3-carboxylate
CID 103425212
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423779
ethyl 4-amino-5-(cyclopropylcarbamoyl)-2-(propylamino)thiophene-3-carboxylate
CID 103423052
3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
CID 103525933
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
CID 103424219
3-amino-2-N-cyclopropyl-4-N-methyl-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxamide
CID 103526075
methyl 5-acetyl-4-amino-2-[(4-hydroxycyclohexyl)amino]thiophene-3-carboxylate
CID 103424711
3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423057
methyl 5-acetyl-4-amino-2-[(4-methylcyclohexyl)amino]thiophene-3-carboxylate
CID 103426561
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate (CID 103424181) is methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate is CNc1sc(C(=O)NC2CC2)c(N)c1C(=O)OC.
What is the InChIKey of methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate?
The InChIKey is OZNMNTWGRUPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-13-10-6(11(16)17-2)7(12)8(18-10)9(15)14-5-3-4-5/h5,13H,3-4,12H2,1-2H3,(H,14,15).
What are the key properties of methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate?
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate is sourced from PubChem (CID 103424181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).