3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide

C11H16N4O2S — CID 103426994

IUPAC3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCCOC)c(C#N)c1N
InChIInChI=1S/C11H16N4O2S/c1-14-10(16)9-8(13)7(6-12)11(18-9)15-4-3-5-17-2/h15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyLKXCKUKCMPBPFS-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.01
Rot. Bonds6

About 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide

3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide (PubChem CID 103426994) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide
PubChem CID103426994
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCCOC)c(C#N)c1N
InChIInChI=1S/C11H16N4O2S/c1-14-10(16)9-8(13)7(6-12)11(18-9)15-4-3-5-17-2/h15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyLKXCKUKCMPBPFS-UHFFFAOYSA-N
XLogP1.01
TPSA100.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
3-amino-4-cyano-5-(3-methoxypropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103427052
3-amino-4-cyano-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505953
3-amino-4-cyano-N-methyl-5-(5,5,5-trifluoropentylamino)thiophene-2-carboxamide
CID 103506020
3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
CID 103426993
methyl 3-amino-4-cyano-5-(4-methylpentylamino)thiophene-2-carboxylate
CID 103507086
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
3-amino-4-cyano-N-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxamide
CID 103426161
4-amino-5-propanoyl-2-(4-propan-2-yloxybutylamino)thiophene-3-carbonitrile
CID 106017458
3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029275

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide (CID 103426994) is 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(NCCCOC)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide?
The InChIKey is LKXCKUKCMPBPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-14-10(16)9-8(13)7(6-12)11(18-9)15-4-3-5-17-2/h15H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide?
3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103426994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).