4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide

C12H18N4OS — CID 103420460

IUPAC4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide
SMILESCCCCN(CC)c1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C12H18N4OS/c1-3-5-6-16(4-2)12-9(11(15)17)10(14)8(7-13)18-12/h3-6,14H2,1-2H3,(H2,15,17)
InChIKeyDQMZVYSFZOTXIR-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.93
Rot. Bonds6

About 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide

4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide (PubChem CID 103420460) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide
PubChem CID103420460
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide
SMILESCCCCN(CC)c1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C12H18N4OS/c1-3-5-6-16(4-2)12-9(11(15)17)10(14)8(7-13)18-12/h3-6,14H2,1-2H3,(H2,15,17)
InChIKeyDQMZVYSFZOTXIR-UHFFFAOYSA-N
XLogP1.93
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide
CID 103420749
3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103420533
ethyl 3-amino-4-carbamoyl-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421055
4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
CID 106044889
methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
CID 103420554
4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 103423198
1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103420506
3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103420340
4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide
CID 103425944
5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carbonitrile
CID 103420406
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
CID 103421006

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide?
The IUPAC name of 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide (CID 103420460) is 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide is CCCCN(CC)c1sc(C#N)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide?
The InChIKey is DQMZVYSFZOTXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-3-5-6-16(4-2)12-9(11(15)17)10(14)8(7-13)18-12/h3-6,14H2,1-2H3,(H2,15,17).
What are the key properties of 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide?
4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[butyl(ethyl)amino]-5-cyanothiophene-3-carboxamide is sourced from PubChem (CID 103420460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).