3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide

C13H19N5OS — CID 103508485

IUPAC3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
SMILESCC(CN1CCCC1)Nc1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C13H19N5OS/c1-8(7-18-4-2-3-5-18)17-13-9(6-14)10(15)11(20-13)12(16)19/h8,17H,2-5,7,15H2,1H3,(H2,16,19)
InChIKeyRSTAZFYVJBOOHK-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.20
Rot. Bonds5

About 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide

3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide (PubChem CID 103508485) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
PubChem CID103508485
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
SMILESCC(CN1CCCC1)Nc1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C13H19N5OS/c1-8(7-18-4-2-3-5-18)17-13-9(6-14)10(15)11(20-13)12(16)19/h8,17H,2-5,7,15H2,1H3,(H2,16,19)
InChIKeyRSTAZFYVJBOOHK-UHFFFAOYSA-N
XLogP1.20
TPSA108.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyano-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426278
4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile
CID 103508622
3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029310
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296507
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103425102
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416225
4-amino-5-(4-methoxybenzoyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 43831079
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103506254
3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103423501

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide (CID 103508485) is 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide is CC(CN1CCCC1)Nc1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide?
The InChIKey is RSTAZFYVJBOOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8(7-18-4-2-3-5-18)17-13-9(6-14)10(15)11(20-13)12(16)19/h8,17H,2-5,7,15H2,1H3,(H2,16,19).
What are the key properties of 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide?
3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103508485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).