3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide

C11H16N4O2S — CID 103507417

IUPAC3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide
SMILESC=C(C)CNc1sc(C(=O)NC)c(N)c1C(N)=O
InChIInChI=1S/C11H16N4O2S/c1-5(2)4-15-11-6(9(13)16)7(12)8(18-11)10(17)14-3/h15H,1,4,12H2,2-3H3,(H2,13,16)(H,14,17)
InChIKeyIQIIBMKJWYNKTI-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide

3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide (PubChem CID 103507417) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide
PubChem CID103507417
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide
SMILESC=C(C)CNc1sc(C(=O)NC)c(N)c1C(N)=O
InChIInChI=1S/C11H16N4O2S/c1-5(2)4-15-11-6(9(13)16)7(12)8(18-11)10(17)14-3/h15H,1,4,12H2,2-3H3,(H2,13,16)(H,14,17)
InChIKeyIQIIBMKJWYNKTI-UHFFFAOYSA-N
XLogP0.78
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylprop-2-enylamino)thiophene-3-carboxylate
CID 103507353
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
3-amino-4-ethylsulfonyl-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507351
ethyl 5-acetyl-4-amino-2-(2-methylprop-2-enylamino)thiophene-3-carboxylate
CID 103507347
3-amino-2-N-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103506882
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423814
3-amino-5-(dimethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103420269
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103507338
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
3-amino-5-[ethyl(methyl)amino]-2-N-methylthiophene-2,4-dicarboxamide
CID 103420974
3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507326

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide (CID 103507417) is 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide is C=C(C)CNc1sc(C(=O)NC)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide?
The InChIKey is IQIIBMKJWYNKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-5(2)4-15-11-6(9(13)16)7(12)8(18-11)10(17)14-3/h15H,1,4,12H2,2-3H3,(H2,13,16)(H,14,17).
What are the key properties of 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103507417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).