4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

C12H19N3O2S — CID 61109174

IUPAC4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(N)=O)CC(C)C)cc1N
InChIInChI=1S/C12H19N3O2S/c1-7(2)5-15(6-11(14)16)12(17)10-4-9(13)8(3)18-10/h4,7H,5-6,13H2,1-3H3,(H2,14,16)
InChIKeyYLZZEQCRPISYED-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.22
Rot. Bonds5

About 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 61109174) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID61109174
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(N)=O)CC(C)C)cc1N
InChIInChI=1S/C12H19N3O2S/c1-7(2)5-15(6-11(14)16)12(17)10-4-9(13)8(3)18-10/h4,7H,5-6,13H2,1-3H3,(H2,14,16)
InChIKeyYLZZEQCRPISYED-UHFFFAOYSA-N
XLogP1.22
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
CID 61106447
N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78991790
N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 79998100
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61108035
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61110497
5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61109173
N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625287
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 61108861
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate
CID 55135924

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (CID 61109174) is 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(CC(N)=O)CC(C)C)cc1N.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is YLZZEQCRPISYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)5-15(6-11(14)16)12(17)10-4-9(13)8(3)18-10/h4,7H,5-6,13H2,1-3H3,(H2,14,16).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 61109174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).