3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide

C13H24N4OS — CID 103508810

IUPAC3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCC(C)(C)N(C)C)cc1N
InChIInChI=1S/C13H24N4OS/c1-6-15-12(18)11-9(14)7-10(19-11)16-8-13(2,3)17(4)5/h7,16H,6,8,14H2,1-5H3,(H,15,18)
InChIKeyDZJHVQYPKOGSTM-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.83
Rot. Bonds6

About 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide

3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide (PubChem CID 103508810) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
PubChem CID103508810
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCC(C)(C)N(C)C)cc1N
InChIInChI=1S/C13H24N4OS/c1-6-15-12(18)11-9(14)7-10(19-11)16-8-13(2,3)17(4)5/h7,16H,6,8,14H2,1-5H3,(H,15,18)
InChIKeyDZJHVQYPKOGSTM-UHFFFAOYSA-N
XLogP1.83
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-N-ethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
CID 106219029
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
CID 103506198
3-amino-N-ethyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426292
3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422849
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
3-amino-5-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763
3-amino-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425572
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584
3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 106901131

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide (CID 103508810) is 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sc(NCC(C)(C)N(C)C)cc1N.
What is the InChIKey of 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide?
The InChIKey is DZJHVQYPKOGSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-15-12(18)11-9(14)7-10(19-11)16-8-13(2,3)17(4)5/h7,16H,6,8,14H2,1-5H3,(H,15,18).
What are the key properties of 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide?
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103508810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).