3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide

C14H20N4OS — CID 103422771

IUPAC3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide
SMILESCC1(C)CCCN(c2sc(C(N)=O)c(N)c2C#N)CC1
InChIInChI=1S/C14H20N4OS/c1-14(2)4-3-6-18(7-5-14)13-9(8-15)10(16)11(20-13)12(17)19/h3-7,16H2,1-2H3,(H2,17,19)
InChIKeyHFFWHMHKXUEPLR-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.32
Rot. Bonds2

About 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide

3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide (PubChem CID 103422771) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide
PubChem CID103422771
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide
SMILESCC1(C)CCCN(c2sc(C(N)=O)c(N)c2C#N)CC1
InChIInChI=1S/C14H20N4OS/c1-14(2)4-3-6-18(7-5-14)13-9(8-15)10(16)11(20-13)12(17)19/h3-7,16H2,1-2H3,(H2,17,19)
InChIKeyHFFWHMHKXUEPLR-UHFFFAOYSA-N
XLogP2.32
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide (CID 103422771) is 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide is CC1(C)CCCN(c2sc(C(N)=O)c(N)c2C#N)CC1.
What is the InChIKey of 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide?
The InChIKey is HFFWHMHKXUEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-14(2)4-3-6-18(7-5-14)13-9(8-15)10(16)11(20-13)12(17)19/h3-7,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide?
3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103422771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).