2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride

C12H20ClN3O2S — CID 119608033

IUPAC2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cc(C(N)=O)cs1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-7(2)12(3,6-13)15-11(17)9-4-8(5-18-9)10(14)16;/h4-5,7H,6,13H2,1-3H3,(H2,14,16)(H,15,17);1H
InChIKeyIBINYYPHSXFWTH-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.37
Rot. Bonds5

About 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride

2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride (PubChem CID 119608033) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
PubChem CID119608033
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cc(C(N)=O)cs1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-7(2)12(3,6-13)15-11(17)9-4-8(5-18-9)10(14)16;/h4-5,7H,6,13H2,1-3H3,(H2,14,16)(H,15,17);1H
InChIKeyIBINYYPHSXFWTH-UHFFFAOYSA-N
XLogP1.37
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119574938
N-(1-amino-2,3-dimethylbutan-2-yl)-5-nitrothiophene-3-carboxamide
CID 81487252
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119606869
4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 119521663
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 81486406
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
(2S,3S)-2-[(4-carbamoylthiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194448
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 115310439
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113265798

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride?
The IUPAC name of 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride (CID 119608033) is 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride?
The canonical SMILES for 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cc(C(N)=O)cs1.Cl.
What is the InChIKey of 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride?
The InChIKey is IBINYYPHSXFWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-7(2)12(3,6-13)15-11(17)9-4-8(5-18-9)10(14)16;/h4-5,7H,6,13H2,1-3H3,(H2,14,16)(H,15,17);1H.
What are the key properties of 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride?
2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119608033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).