2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide

C17H16N2OS2 — CID 8933182

IUPAC2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2sc3c(c2c(-c2cccs2)c1C(N)=O)CCCC3
InChIInChI=1S/C17H16N2OS2/c1-9-13(16(18)20)15(12-7-4-8-21-12)14-10-5-2-3-6-11(10)22-17(14)19-9/h4,7-8H,2-3,5-6H2,1H3,(H2,18,20)
InChIKeyOPYJVPHYQCMDIM-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.31
Rot. Bonds2

About 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide

2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide (PubChem CID 8933182) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
PubChem CID8933182
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2sc3c(c2c(-c2cccs2)c1C(N)=O)CCCC3
InChIInChI=1S/C17H16N2OS2/c1-9-13(16(18)20)15(12-7-4-8-21-12)14-10-5-2-3-6-11(10)22-17(14)19-9/h4,7-8H,2-3,5-6H2,1H3,(H2,18,20)
InChIKeyOPYJVPHYQCMDIM-UHFFFAOYSA-N
XLogP4.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide (CID 8933182) is 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide is Cc1nc2sc3c(c2c(-c2cccs2)c1C(N)=O)CCCC3.
What is the InChIKey of 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OPYJVPHYQCMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-9-13(16(18)20)15(12-7-4-8-21-12)14-10-5-2-3-6-11(10)22-17(14)19-9/h4,7-8H,2-3,5-6H2,1H3,(H2,18,20).
What are the key properties of 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide?
2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 8933182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).