4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide

C12H18N4O2S — CID 103508217

IUPAC4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
SMILESCCC(COC)Nc1sc(C#N)c(N)c1C(=O)NC
InChIInChI=1S/C12H18N4O2S/c1-4-7(6-18-3)16-12-9(11(17)15-2)10(14)8(5-13)19-12/h7,16H,4,6,14H2,1-3H3,(H,15,17)
InChIKeyUTWLEFBZJRVWKL-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.40
Rot. Bonds6

About 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide

4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide (PubChem CID 103508217) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
PubChem CID103508217
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
SMILESCCC(COC)Nc1sc(C#N)c(N)c1C(=O)NC
InChIInChI=1S/C12H18N4O2S/c1-4-7(6-18-3)16-12-9(11(17)15-2)10(14)8(5-13)19-12/h7,16H,4,6,14H2,1-3H3,(H,15,17)
InChIKeyUTWLEFBZJRVWKL-UHFFFAOYSA-N
XLogP1.40
TPSA100.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508226
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038
3-amino-5-(1-methoxybutan-2-ylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508232
ethyl 3-amino-4-cyano-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxylate
CID 103508205
3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103508194
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
CID 103423667
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
CID 106219030
1-[3-amino-4-cyclopropyl-5-(1-methoxybutan-2-ylamino)thiophen-2-yl]ethanone
CID 103508167
3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103508186
3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103425081

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide (CID 103508217) is 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide is CCC(COC)Nc1sc(C#N)c(N)c1C(=O)NC.
What is the InChIKey of 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?
The InChIKey is UTWLEFBZJRVWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-4-7(6-18-3)16-12-9(11(17)15-2)10(14)8(5-13)19-12/h7,16H,4,6,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide?
4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103508217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).