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

C11H17N3O3S — CID 103420870

IUPACmethyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
SMILESCCN(C)c1sc(C(=O)OC)c(N)c1C(=O)NC
InChIInChI=1S/C11H17N3O3S/c1-5-14(3)10-6(9(15)13-2)7(12)8(18-10)11(16)17-4/h5,12H2,1-4H3,(H,13,15)
InChIKeyIBAXYMZJPLOGPS-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.93
Rot. Bonds4

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

methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate (PubChem CID 103420870) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
PubChem CID103420870
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namemethyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
SMILESCCN(C)c1sc(C(=O)OC)c(N)c1C(=O)NC
InChIInChI=1S/C11H17N3O3S/c1-5-14(3)10-6(9(15)13-2)7(12)8(18-10)11(16)17-4/h5,12H2,1-4H3,(H,13,15)
InChIKeyIBAXYMZJPLOGPS-UHFFFAOYSA-N
XLogP0.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103509520
3-amino-5-[ethyl(methyl)amino]-2-N-methylthiophene-2,4-dicarboxamide
CID 103420974
ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103419240
methyl 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103422230
methyl 4-amino-2-(dimethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103420209
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103420939
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide
CID 103509461
4-O-ethyl 2-O-methyl 3-amino-5-[butyl(methyl)amino]thiophene-2,4-dicarboxylate
CID 103420391
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038
5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422845
methyl 5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carboxylate
CID 103420356

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate (CID 103420870) is methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate is CCN(C)c1sc(C(=O)OC)c(N)c1C(=O)NC.
What is the InChIKey of methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate?
The InChIKey is IBAXYMZJPLOGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-5-14(3)10-6(9(15)13-2)7(12)8(18-10)11(16)17-4/h5,12H2,1-4H3,(H,13,15).
What are the key properties of methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate?
methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 103420870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).