N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide

C15H15N3O2S — CID 43430849

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc3c(c2C#N)CCNC3)c(C)o1
InChIInChI=1S/C15H15N3O2S/c1-8-5-11(9(2)20-8)14(19)18-15-12(6-16)10-3-4-17-7-13(10)21-15/h5,17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeySGIZHUOPNZSYIE-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.73
Rot. Bonds2

About N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 43430849) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID43430849
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc3c(c2C#N)CCNC3)c(C)o1
InChIInChI=1S/C15H15N3O2S/c1-8-5-11(9(2)20-8)14(19)18-15-12(6-16)10-3-4-17-7-13(10)21-15/h5,17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeySGIZHUOPNZSYIE-UHFFFAOYSA-N
XLogP2.73
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide with MolForge

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylbenzamide
CID 43430839
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-fluorobenzamide
CID 43430864
5-bromo-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 43430842
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 43599753
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
CID 43430836
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide
CID 79003916
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylsulfonylpropanamide
CID 104520627
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide
CID 43638963
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602
1-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-cyclobutylurea
CID 116658560
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)morpholine-4-carboxamide
CID 78968803
(2R)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)oxolane-2-carboxamide
CID 104856163

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide (CID 43430849) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2sc3c(c2C#N)CCNC3)c(C)o1.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SGIZHUOPNZSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-8-5-11(9(2)20-8)14(19)18-15-12(6-16)10-3-4-17-7-13(10)21-15/h5,17H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 43430849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).