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

C13H19N3O3S — CID 103509520

IUPACmethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
SMILESCNC(=O)c1c(N(C)CC2CC2)sc(C(=O)OC)c1N
InChIInChI=1S/C13H19N3O3S/c1-15-11(17)8-9(14)10(13(18)19-3)20-12(8)16(2)6-7-4-5-7/h7H,4-6,14H2,1-3H3,(H,15,17)
InChIKeyACWUFMZZNJHBQQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.32
Rot. Bonds5

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

methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate (PubChem CID 103509520) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
PubChem CID103509520
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Namemethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
SMILESCNC(=O)c1c(N(C)CC2CC2)sc(C(=O)OC)c1N
InChIInChI=1S/C13H19N3O3S/c1-15-11(17)8-9(14)10(13(18)19-3)20-12(8)16(2)6-7-4-5-7/h7H,4-6,14H2,1-3H3,(H,15,17)
InChIKeyACWUFMZZNJHBQQ-UHFFFAOYSA-N
XLogP1.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103420870
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103509521
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
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380792
ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103509602
ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103419240
3-amino-4-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]thiophene-2,4-dicarboxamide
CID 103509461
4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103421487
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421492

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate (CID 103509520) is methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate is CNC(=O)c1c(N(C)CC2CC2)sc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate?
The InChIKey is ACWUFMZZNJHBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-15-11(17)8-9(14)10(13(18)19-3)20-12(8)16(2)6-7-4-5-7/h7H,4-6,14H2,1-3H3,(H,15,17).
What are the key properties of methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate?
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 103509520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).