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

C17H18N4OS2 — CID 11951722

IUPAC4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccsc3)sc12
InChIInChI=1S/C17H18N4OS2/c18-16(22)13-8-20-17(21-11-2-1-4-19-7-11)12-6-14(24-15(12)13)10-3-5-23-9-10/h3,5-6,8-9,11,19H,1-2,4,7H2,(H2,18,22)(H,20,21)/t11-/m0/s1
InChIKeyLCAGMBOQRJACFN-NSHDSACASA-N
MW358.49 g/mol
LogP3.29
Rot. Bonds4

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

4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 11951722) 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-3-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID11951722
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccsc3)sc12
InChIInChI=1S/C17H18N4OS2/c18-16(22)13-8-20-17(21-11-2-1-4-19-7-11)12-6-14(24-15(12)13)10-3-5-23-9-10/h3,5-6,8-9,11,19H,1-2,4,7H2,(H2,18,22)(H,20,21)/t11-/m0/s1
InChIKeyLCAGMBOQRJACFN-NSHDSACASA-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-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide (CID 11951722) is 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccsc3)sc12.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is LCAGMBOQRJACFN-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4OS2/c18-16(22)13-8-20-17(21-11-2-1-4-19-7-11)12-6-14(24-15(12)13)10-3-5-23-9-10/h3,5-6,8-9,11,19H,1-2,4,7H2,(H2,18,22)(H,20,21)/t11-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-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-3-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 11951722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).