4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide

C11H14N4O3S2 — CID 103428685

IUPAC4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide
SMILESN#Cc1sc(NC2CCS(=O)(=O)CC2)c(C(N)=O)c1N
InChIInChI=1S/C11H14N4O3S2/c12-5-7-9(13)8(10(14)16)11(19-7)15-6-1-3-20(17,18)4-2-6/h6,15H,1-4,13H2,(H2,14,16)
InChIKeyWYRLGTNLGBKUJB-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.29
Rot. Bonds3

About 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide

4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide (PubChem CID 103428685) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide
PubChem CID103428685
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide
SMILESN#Cc1sc(NC2CCS(=O)(=O)CC2)c(C(N)=O)c1N
InChIInChI=1S/C11H14N4O3S2/c12-5-7-9(13)8(10(14)16)11(19-7)15-6-1-3-20(17,18)4-2-6/h6,15H,1-4,13H2,(H2,14,16)
InChIKeyWYRLGTNLGBKUJB-UHFFFAOYSA-N
XLogP0.29
TPSA139.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide (CID 103428685) is 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide is N#Cc1sc(NC2CCS(=O)(=O)CC2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide?
The InChIKey is WYRLGTNLGBKUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c12-5-7-9(13)8(10(14)16)11(19-7)15-6-1-3-20(17,18)4-2-6/h6,15H,1-4,13H2,(H2,14,16).
What are the key properties of 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 103428685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).