3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide

C13H22N4OS — CID 103508490

IUPAC3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NC(C)CN2CCCC2)cc1N
InChIInChI=1S/C13H22N4OS/c1-9(8-17-5-3-4-6-17)16-11-7-10(14)12(19-11)13(18)15-2/h7,9,16H,3-6,8,14H2,1-2H3,(H,15,18)
InChIKeyQJUXSQHARQNPCS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds5

About 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide

3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide (PubChem CID 103508490) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
PubChem CID103508490
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NC(C)CN2CCCC2)cc1N
InChIInChI=1S/C13H22N4OS/c1-9(8-17-5-3-4-6-17)16-11-7-10(14)12(19-11)13(18)15-2/h7,9,16H,3-6,8,14H2,1-2H3,(H,15,18)
InChIKeyQJUXSQHARQNPCS-UHFFFAOYSA-N
XLogP1.59
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
1-[3-amino-5-(2-piperidin-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103508604
3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508485
2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767910
3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62912151
3-amino-N,N-dimethyl-5-(2-piperidin-1-ylethylamino)thiophene-2-carboxamide
CID 103508614
4-amino-6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 81240424
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide
CID 106045453

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide (CID 103508490) is 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide is CNC(=O)c1sc(NC(C)CN2CCCC2)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide?
The InChIKey is QJUXSQHARQNPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(8-17-5-3-4-6-17)16-11-7-10(14)12(19-11)13(18)15-2/h7,9,16H,3-6,8,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide?
3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103508490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).