3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide

C13H18N4OS — CID 107416225

IUPAC3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
SMILESCC1CCC(CNc2sc(C(N)=O)c(N)c2C#N)C1
InChIInChI=1S/C13H18N4OS/c1-7-2-3-8(4-7)6-17-13-9(5-14)10(15)11(19-13)12(16)18/h7-8,17H,2-4,6,15H2,1H3,(H2,16,18)
InChIKeyAKIACTDLOBYCKE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.15
Rot. Bonds4

About 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide

3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide (PubChem CID 107416225) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
PubChem CID107416225
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
SMILESCC1CCC(CNc2sc(C(N)=O)c(N)c2C#N)C1
InChIInChI=1S/C13H18N4OS/c1-7-2-3-8(4-7)6-17-13-9(5-14)10(15)11(19-13)12(16)18/h7-8,17H,2-4,6,15H2,1H3,(H2,16,18)
InChIKeyAKIACTDLOBYCKE-UHFFFAOYSA-N
XLogP2.15
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxylate
CID 107416210
3-amino-5-[(3-methylcyclopentyl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 107416234
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
3-amino-4-cyano-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426278
1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 107416246
3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416244
ethyl 4-amino-5-carbamoyl-2-(cyclopropylmethylamino)thiophene-3-carboxylate
CID 103424634
5-acetyl-4-amino-2-(oxolan-2-ylmethylamino)thiophene-3-carbonitrile
CID 103426505
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
5-acetyl-4-amino-2-[(1-methylpyrrolidin-2-yl)methylamino]thiophene-3-carbonitrile
CID 106029461
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide (CID 107416225) is 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide is CC1CCC(CNc2sc(C(N)=O)c(N)c2C#N)C1.
What is the InChIKey of 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide?
The InChIKey is AKIACTDLOBYCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7-2-3-8(4-7)6-17-13-9(5-14)10(15)11(19-13)12(16)18/h7-8,17H,2-4,6,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide?
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 107416225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).