4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine

C17H18N4O2S2 — CID 167084570

IUPAC4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine
SMILESCOc1ccc(SN2CCC(Oc3ncnc4ccsc34)CC2)cn1
InChIInChI=1S/C17H18N4O2S2/c1-22-15-3-2-13(10-18-15)25-21-7-4-12(5-8-21)23-17-16-14(6-9-24-16)19-11-20-17/h2-3,6,9-12H,4-5,7-8H2,1H3
InChIKeyWKNWEASIFHTZRE-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.65
Rot. Bonds5

About 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine

4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine (PubChem CID 167084570) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine
PubChem CID167084570
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine
SMILESCOc1ccc(SN2CCC(Oc3ncnc4ccsc34)CC2)cn1
InChIInChI=1S/C17H18N4O2S2/c1-22-15-3-2-13(10-18-15)25-21-7-4-12(5-8-21)23-17-16-14(6-9-24-16)19-11-20-17/h2-3,6,9-12H,4-5,7-8H2,1H3
InChIKeyWKNWEASIFHTZRE-UHFFFAOYSA-N
XLogP3.65
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The IUPAC name of 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine (CID 167084570) is 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine is COc1ccc(SN2CCC(Oc3ncnc4ccsc34)CC2)cn1.
What is the InChIKey of 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The InChIKey is WKNWEASIFHTZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-22-15-3-2-13(10-18-15)25-21-7-4-12(5-8-21)23-17-16-14(6-9-24-16)19-11-20-17/h2-3,6,9-12H,4-5,7-8H2,1H3.
What are the key properties of 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine?
4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine has a molecular weight of 374.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-methoxy-3-pyridinyl)sulfanyl]piperidin-4-yl]oxythieno[3,2-d]pyrimidine is sourced from PubChem (CID 167084570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).