3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide

C13H22N4O2S — CID 103426938

IUPAC3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(NC(C)C(C)C)c(C(=O)NC)c1N
InChIInChI=1S/C13H22N4O2S/c1-6(2)7(3)17-13-8(11(18)15-4)9(14)10(20-13)12(19)16-5/h6-7,17H,14H2,1-5H3,(H,15,18)(H,16,19)
InChIKeyLYNBGIHWPMZSQH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide

3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide (PubChem CID 103426938) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide
PubChem CID103426938
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(NC(C)C(C)C)c(C(=O)NC)c1N
InChIInChI=1S/C13H22N4O2S/c1-6(2)7(3)17-13-8(11(18)15-4)9(14)10(20-13)12(19)16-5/h6-7,17H,14H2,1-5H3,(H,15,18)(H,16,19)
InChIKeyLYNBGIHWPMZSQH-UHFFFAOYSA-N
XLogP1.51
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-2-(3-methylbutan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103426878
3-amino-4-N-methyl-5-(propan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423232
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
methyl 4-amino-2-(1-methoxypropan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103425071
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038
3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423511
ethyl 4-amino-5-carbamoyl-2-(3-methylbutan-2-ylamino)thiophene-3-carboxylate
CID 103426909
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103423685
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423814
5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508226
4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103505734

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide (CID 103426938) is 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide is CNC(=O)c1sc(NC(C)C(C)C)c(C(=O)NC)c1N.
What is the InChIKey of 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide?
The InChIKey is LYNBGIHWPMZSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-6(2)7(3)17-13-8(11(18)15-4)9(14)10(20-13)12(19)16-5/h6-7,17H,14H2,1-5H3,(H,15,18)(H,16,19).
What are the key properties of 3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 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,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103426938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).