3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide

C13H19N3OS — CID 103423662

IUPAC3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(NC2CC2)c(C2CC2)c1N
InChIInChI=1S/C13H19N3OS/c1-16(2)13(17)11-10(14)9(7-3-4-7)12(18-11)15-8-5-6-8/h7-8,15H,3-6,14H2,1-2H3
InChIKeySNEJEGRFWRXYSV-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.48
Rot. Bonds4

About 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103423662) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide
PubChem CID103423662
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(NC2CC2)c(C2CC2)c1N
InChIInChI=1S/C13H19N3OS/c1-16(2)13(17)11-10(14)9(7-3-4-7)12(18-11)15-8-5-6-8/h7-8,15H,3-6,14H2,1-2H3
InChIKeySNEJEGRFWRXYSV-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526109
1-[3-amino-4-cyclopropyl-5-(cyclopropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423663
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
3-amino-4-cyclopropyl-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525554
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526031
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
CID 103421451
3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
CID 103417843
ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103506893
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
CID 103423180
3-amino-4-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417550

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide (CID 103423662) is 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1sc(NC2CC2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is SNEJEGRFWRXYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16(2)13(17)11-10(14)9(7-3-4-7)12(18-11)15-8-5-6-8/h7-8,15H,3-6,14H2,1-2H3.
What are the key properties of 3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.48, 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-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103423662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).