3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide

C12H18N4O2S — CID 103425102

IUPAC3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
SMILESCOCC(C)Nc1sc(C(=O)N(C)C)c(N)c1C#N
InChIInChI=1S/C12H18N4O2S/c1-7(6-18-4)15-11-8(5-13)9(14)10(19-11)12(17)16(2)3/h7,15H,6,14H2,1-4H3
InChIKeyQAOXYPYQDIEUMN-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide

3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103425102) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
PubChem CID103425102
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
SMILESCOCC(C)Nc1sc(C(=O)N(C)C)c(N)c1C#N
InChIInChI=1S/C12H18N4O2S/c1-7(6-18-4)15-11-8(5-13)9(14)10(19-11)12(17)16(2)3/h7,15H,6,14H2,1-4H3
InChIKeyQAOXYPYQDIEUMN-UHFFFAOYSA-N
XLogP1.35
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyano-5-(3-methoxypropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103427052
3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103505773
ethyl 3-amino-4-cyano-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxylate
CID 103508205
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
methyl 3-amino-4-cyano-5-(4-methylpentylamino)thiophene-2-carboxylate
CID 103507086
3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103425081
3-amino-4-methoxy-N,N-dimethyl-5-(propan-2-ylamino)thiophene-2-carboxamide
CID 103423279
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide (CID 103425102) is 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide is COCC(C)Nc1sc(C(=O)N(C)C)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is QAOXYPYQDIEUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7(6-18-4)15-11-8(5-13)9(14)10(19-11)12(17)16(2)3/h7,15H,6,14H2,1-4H3.
What are the key properties of 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide?
3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103425102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).