3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide

C12H19N3OS — CID 103420939

IUPAC3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
SMILESCCN(C)c1sc(C(=O)NC)c(N)c1C1CC1
InChIInChI=1S/C12H19N3OS/c1-4-15(3)12-8(7-5-6-7)9(13)10(17-12)11(16)14-2/h7H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyHNDKNFGJFQQYOO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide

3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide (PubChem CID 103420939) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
PubChem CID103420939
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
SMILESCCN(C)c1sc(C(=O)NC)c(N)c1C1CC1
InChIInChI=1S/C12H19N3OS/c1-4-15(3)12-8(7-5-6-7)9(13)10(17-12)11(16)14-2/h7H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyHNDKNFGJFQQYOO-UHFFFAOYSA-N
XLogP2.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
3-amino-5-[ethyl(methyl)amino]-2-N-methylthiophene-2,4-dicarboxamide
CID 103420974
3-amino-4-cyclopropyl-N-ethyl-5-[2-methoxyethyl(methyl)amino]thiophene-2-carboxamide
CID 103417786
methyl 3-amino-5-[ethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103420870
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103420397
3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
CID 103420839
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
CID 103421451
1-[3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103417945
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
CID 103417931
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide (CID 103420939) is 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide is CCN(C)c1sc(C(=O)NC)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide?
The InChIKey is HNDKNFGJFQQYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-15(3)12-8(7-5-6-7)9(13)10(17-12)11(16)14-2/h7H,4-6,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103420939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).