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

C12H18ClN3O2S — CID 119574938

IUPAC2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(C(N)=O)cs1)C1CC1.Cl
InChIInChI=1S/C12H17N3O2S.ClH/c1-12(6-13,8-2-3-8)15-11(17)9-4-7(5-18-9)10(14)16;/h4-5,8H,2-3,6,13H2,1H3,(H2,14,16)(H,15,17);1H
InChIKeyANHVWWJWXIVASS-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.13
Rot. Bonds5

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

2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride (PubChem CID 119574938) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
PubChem CID119574938
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(C(N)=O)cs1)C1CC1.Cl
InChIInChI=1S/C12H17N3O2S.ClH/c1-12(6-13,8-2-3-8)15-11(17)9-4-7(5-18-9)10(14)16;/h4-5,8H,2-3,6,13H2,1H3,(H2,14,16)(H,15,17);1H
InChIKeyANHVWWJWXIVASS-UHFFFAOYSA-N
XLogP1.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469
2-N-(1-amino-2,3-dimethylbutan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119608033
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81485764
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119573224
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 81486981
N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119576047
4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 119521663
2-N-(2-amino-1-cyclopropylethyl)thiophene-2,4-dicarboxamide
CID 119616396

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride?
The IUPAC name of 2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride (CID 119574938) is 2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride?
The canonical SMILES for 2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride is CC(CN)(NC(=O)c1cc(C(N)=O)cs1)C1CC1.Cl.
What is the InChIKey of 2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride?
The InChIKey is ANHVWWJWXIVASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S.ClH/c1-12(6-13,8-2-3-8)15-11(17)9-4-7(5-18-9)10(14)16;/h4-5,8H,2-3,6,13H2,1H3,(H2,14,16)(H,15,17);1H.
What are the key properties of 2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride?
2-N-(1-amino-2-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of 1.13, 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-cyclopropylpropan-2-yl)thiophene-2,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119574938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).