4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide

C10H12N4OS — CID 103525923

IUPAC4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
SMILESN#Cc1sc(NC2CCC2)c(C(N)=O)c1N
InChIInChI=1S/C10H12N4OS/c11-4-6-8(12)7(9(13)15)10(16-6)14-5-2-1-3-5/h5,14H,1-3,12H2,(H2,13,15)
InChIKeyHXFFNZGFOUMOBP-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.27
Rot. Bonds3

About 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide

4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide (PubChem CID 103525923) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
PubChem CID103525923
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
SMILESN#Cc1sc(NC2CCC2)c(C(N)=O)c1N
InChIInChI=1S/C10H12N4OS/c11-4-6-8(12)7(9(13)15)10(16-6)14-5-2-1-3-5/h5,14H,1-3,12H2,(H2,13,15)
InChIKeyHXFFNZGFOUMOBP-UHFFFAOYSA-N
XLogP1.27
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide
CID 103428685
4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
CID 103423667
3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
CID 103423923
4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 103423198
3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
CID 103423008
3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103423960
4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
CID 106218979
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
ethyl 4-amino-5-cyano-2-[(1-methylpyrrolidin-3-yl)amino]thiophene-3-carboxylate
CID 103508027
3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide
CID 70956563
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956
3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426567

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide (CID 103525923) is 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide is N#Cc1sc(NC2CCC2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide?
The InChIKey is HXFFNZGFOUMOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c11-4-6-8(12)7(9(13)15)10(16-6)14-5-2-1-3-5/h5,14H,1-3,12H2,(H2,13,15).
What are the key properties of 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide?
4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103525923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).