6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H16N4O2S — CID 172882049

IUPAC6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCOc1cccc2sc(N3CCc4nc[nH]c(=O)c4C3)nc12
InChIInChI=1S/C16H16N4O2S/c1-2-22-12-4-3-5-13-14(12)19-16(23-13)20-7-6-11-10(8-20)15(21)18-9-17-11/h3-5,9H,2,6-8H2,1H3,(H,17,18,21)
InChIKeyFWQQHCLTSMFIDR-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.34
Rot. Bonds3

About 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 172882049) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID172882049
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCOc1cccc2sc(N3CCc4nc[nH]c(=O)c4C3)nc12
InChIInChI=1S/C16H16N4O2S/c1-2-22-12-4-3-5-13-14(12)19-16(23-13)20-7-6-11-10(8-20)15(21)18-9-17-11/h3-5,9H,2,6-8H2,1H3,(H,17,18,21)
InChIKeyFWQQHCLTSMFIDR-UHFFFAOYSA-N
XLogP2.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 172882049) is 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCOc1cccc2sc(N3CCc4nc[nH]c(=O)c4C3)nc12.
What is the InChIKey of 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FWQQHCLTSMFIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-22-12-4-3-5-13-14(12)19-16(23-13)20-7-6-11-10(8-20)15(21)18-9-17-11/h3-5,9H,2,6-8H2,1H3,(H,17,18,21).
What are the key properties of 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 328.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 172882049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).