(3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

C22H21NOS — CID 11667405

IUPAC(3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESC[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C22H21NOS/c1-14-13-25-22-21(16-9-10-16)18(12-20(24)23(14)22)11-17-7-4-6-15-5-2-3-8-19(15)17/h2-8,12,14,16H,9-11,13H2,1H3/t14-/m1/s1
InChIKeyJABHITQUXKGTFU-CQSZACIVSA-N
MW347.48 g/mol
LogP5.14
Rot. Bonds3

About (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one

(3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 11667405) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name(3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID11667405
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name(3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESC[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C22H21NOS/c1-14-13-25-22-21(16-9-10-16)18(12-20(24)23(14)22)11-17-7-4-6-15-5-2-3-8-19(15)17/h2-8,12,14,16H,9-11,13H2,1H3/t14-/m1/s1
InChIKeyJABHITQUXKGTFU-CQSZACIVSA-N
XLogP5.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 11667405) is (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is C[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21.
What is the InChIKey of (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is JABHITQUXKGTFU-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21NOS/c1-14-13-25-22-21(16-9-10-16)18(12-20(24)23(14)22)11-17-7-4-6-15-5-2-3-8-19(15)17/h2-8,12,14,16H,9-11,13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one?
(3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 347.48 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-cyclopropyl-3-methyl-7-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 11667405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).