(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone

C18H24N4OS2 — CID 8707374

IUPAC(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
SMILESCSc1nc(N2CCCCC2)c2cc(C(=O)N3CCCCC3)sc2n1
InChIInChI=1S/C18H24N4OS2/c1-24-18-19-15(21-8-4-2-5-9-21)13-12-14(25-16(13)20-18)17(23)22-10-6-3-7-11-22/h12H,2-11H2,1H3
InChIKeyVDRUDZJFLLCPPU-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.03
Rot. Bonds3

About (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone

(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone (PubChem CID 8707374) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
PubChem CID8707374
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC Name(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
SMILESCSc1nc(N2CCCCC2)c2cc(C(=O)N3CCCCC3)sc2n1
InChIInChI=1S/C18H24N4OS2/c1-24-18-19-15(21-8-4-2-5-9-21)13-12-14(25-16(13)20-18)17(23)22-10-6-3-7-11-22/h12H,2-11H2,1H3
InChIKeyVDRUDZJFLLCPPU-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone (CID 8707374) is (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone is CSc1nc(N2CCCCC2)c2cc(C(=O)N3CCCCC3)sc2n1.
What is the InChIKey of (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is VDRUDZJFLLCPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-24-18-19-15(21-8-4-2-5-9-21)13-12-14(25-16(13)20-18)17(23)22-10-6-3-7-11-22/h12H,2-11H2,1H3.
What are the key properties of (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
(2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 376.55 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 8707374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).