3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide

C15H24N4OS — CID 103426267

IUPAC3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
SMILESCCN1CCCC1CNc1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C15H24N4OS/c1-2-19-7-3-4-10(19)8-18-15-11(9-5-6-9)12(16)13(21-15)14(17)20/h9-10,18H,2-8,16H2,1H3,(H2,17,20)
InChIKeyMTBWTJHVKYXTGD-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.20
Rot. Bonds6

About 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide

3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide (PubChem CID 103426267) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
PubChem CID103426267
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
SMILESCCN1CCCC1CNc1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C15H24N4OS/c1-2-19-7-3-4-10(19)8-18-15-11(9-5-6-9)12(16)13(21-15)14(17)20/h9-10,18H,2-8,16H2,1H3,(H2,17,20)
InChIKeyMTBWTJHVKYXTGD-UHFFFAOYSA-N
XLogP2.20
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyano-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426278
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622627
5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64629675
3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426292
4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide
CID 103424836
3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 60987259
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625570
3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide
CID 103509949
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
CID 43090000

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide (CID 103426267) is 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide is CCN1CCCC1CNc1sc(C(N)=O)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide?
The InChIKey is MTBWTJHVKYXTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-19-7-3-4-10(19)8-18-15-11(9-5-6-9)12(16)13(21-15)14(17)20/h9-10,18H,2-8,16H2,1H3,(H2,17,20).
What are the key properties of 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103426267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).