4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide

C17H18N4OS2 — CID 11951724

IUPAC4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccs3)sc12
InChIInChI=1S/C17H18N4OS2/c18-16(22)12-9-20-17(21-10-3-1-5-19-8-10)11-7-14(24-15(11)12)13-4-2-6-23-13/h2,4,6-7,9-10,19H,1,3,5,8H2,(H2,18,22)(H,20,21)/t10-/m0/s1
InChIKeyHUOVTXKPBCLDHL-JTQLQIEISA-N
MW358.49 g/mol
LogP3.29
Rot. Bonds4

About 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide

4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 11951724) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID11951724
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccs3)sc12
InChIInChI=1S/C17H18N4OS2/c18-16(22)12-9-20-17(21-10-3-1-5-19-8-10)11-7-14(24-15(11)12)13-4-2-6-23-13/h2,4,6-7,9-10,19H,1,3,5,8H2,(H2,18,22)(H,20,21)/t10-/m0/s1
InChIKeyHUOVTXKPBCLDHL-JTQLQIEISA-N
XLogP3.29
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide (CID 11951724) is 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccs3)sc12.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is HUOVTXKPBCLDHL-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N4OS2/c18-16(22)12-9-20-17(21-10-3-1-5-19-8-10)11-7-14(24-15(11)12)13-4-2-6-23-13/h2,4,6-7,9-10,19H,1,3,5,8H2,(H2,18,22)(H,20,21)/t10-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 11951724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).