ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate

C13H19N3O3S — CID 103526093

IUPACethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC2CC2C)c(C(=O)NC)c1N
InChIInChI=1S/C13H19N3O3S/c1-4-19-13(18)10-9(14)8(11(17)15-3)12(20-10)16-7-5-6(7)2/h6-7,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyNCLVOWUGUXSOFI-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.69
Rot. Bonds5

About ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate

ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate (PubChem CID 103526093) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate
PubChem CID103526093
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC2CC2C)c(C(=O)NC)c1N
InChIInChI=1S/C13H19N3O3S/c1-4-19-13(18)10-9(14)8(11(17)15-3)12(20-10)16-7-5-6(7)2/h6-7,16H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyNCLVOWUGUXSOFI-UHFFFAOYSA-N
XLogP1.69
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
3-amino-2-N-cyclopropyl-4-N-methyl-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxamide
CID 103526075
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
CID 103526057
ethyl 3-amino-5-(2,2-difluoroethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103505715
ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103419240
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103423685
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
CID 103423944
1-[3-amino-4-methoxy-5-[(2-methylcyclopropyl)amino]thiophen-2-yl]propan-1-one
CID 103526142
3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
CID 103525933
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038
ethyl 4-amino-2-(3-methylbutan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103426878

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate (CID 103526093) is ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC2CC2C)c(C(=O)NC)c1N.
What is the InChIKey of ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate?
The InChIKey is NCLVOWUGUXSOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-19-13(18)10-9(14)8(11(17)15-3)12(20-10)16-7-5-6(7)2/h6-7,16H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate?
ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(methylcarbamoyl)-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 103526093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).