7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one

C16H16N2O3S — CID 175584361

IUPAC7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one
SMILESCOc1ccc2oc3nc(N4CCCCC4)sc3c(=O)c2c1
InChIInChI=1S/C16H16N2O3S/c1-20-10-5-6-12-11(9-10)13(19)14-15(21-12)17-16(22-14)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyJTJHLUCCOZSTIC-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.40
Rot. Bonds2

About 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one

7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one (PubChem CID 175584361) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one.

Molecular Properties

Compound Name7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one
PubChem CID175584361
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one
SMILESCOc1ccc2oc3nc(N4CCCCC4)sc3c(=O)c2c1
InChIInChI=1S/C16H16N2O3S/c1-20-10-5-6-12-11(9-10)13(19)14-15(21-12)17-16(22-14)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyJTJHLUCCOZSTIC-UHFFFAOYSA-N
XLogP3.40
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one?
The IUPAC name of 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one (CID 175584361) is 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one.
What is the SMILES notation for 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one?
The canonical SMILES for 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one is COc1ccc2oc3nc(N4CCCCC4)sc3c(=O)c2c1.
What is the InChIKey of 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one?
The InChIKey is JTJHLUCCOZSTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-20-10-5-6-12-11(9-10)13(19)14-15(21-12)17-16(22-14)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one?
7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one has a molecular weight of 316.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one is sourced from PubChem (CID 175584361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).