3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide

C11H17N3OS2 — CID 103427551

IUPAC3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NC(C)C2CC2)sc(C(N)=O)c1N
InChIInChI=1S/C11H17N3OS2/c1-5(6-3-4-6)14-11-9(16-2)7(12)8(17-11)10(13)15/h5-6,14H,3-4,12H2,1-2H3,(H2,13,15)
InChIKeyRCZYNKOCYBJJOE-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.36
Rot. Bonds5

About 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103427551) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103427551
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NC(C)C2CC2)sc(C(N)=O)c1N
InChIInChI=1S/C11H17N3OS2/c1-5(6-3-4-6)14-11-9(16-2)7(12)8(17-11)10(13)15/h5-6,14H,3-4,12H2,1-2H3,(H2,13,15)
InChIKeyRCZYNKOCYBJJOE-UHFFFAOYSA-N
XLogP2.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-(dicyclopropylmethylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103508519
3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103423765
3-amino-5-(3-methylbutylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103425578
methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427604
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103505688
3-amino-4-methylsulfanyl-5-(4-propan-2-ylazepan-1-yl)thiophene-2-carboxamide
CID 103422615
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567
[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103425115
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103525936
3-amino-5-(1-cyclopropylethylamino)thiophene-2-carboxamide
CID 103427586
3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103424297
methyl 5-acetyl-4-amino-2-(1-cyclopropylethylamino)thiophene-3-carboxylate
CID 103427566

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide (CID 103427551) is 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide is CSc1c(NC(C)C2CC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is RCZYNKOCYBJJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-5(6-3-4-6)14-11-9(16-2)7(12)8(17-11)10(13)15/h5-6,14H,3-4,12H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103427551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).