(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C13H11Cl2N3OS — CID 52897828

IUPAC(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCNc1nc2c(s1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2
InChIInChI=1S/C13H11Cl2N3OS/c1-16-13-18-12-11(20-13)7(5-10(19)17-12)6-2-3-8(14)9(15)4-6/h2-4,7H,5H2,1H3,(H,16,18)(H,17,19)/t7-/m1/s1
InChIKeyRQAWEYBDUFKBJQ-SSDOTTSWSA-N
MW328.22 g/mol
LogP3.97
Rot. Bonds2

About (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 52897828) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID52897828
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC Name(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCNc1nc2c(s1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2
InChIInChI=1S/C13H11Cl2N3OS/c1-16-13-18-12-11(20-13)7(5-10(19)17-12)6-2-3-8(14)9(15)4-6/h2-4,7H,5H2,1H3,(H,16,18)(H,17,19)/t7-/m1/s1
InChIKeyRQAWEYBDUFKBJQ-SSDOTTSWSA-N
XLogP3.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 52897828) is (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is CNc1nc2c(s1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2.
What is the InChIKey of (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is RQAWEYBDUFKBJQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c1-16-13-18-12-11(20-13)7(5-10(19)17-12)6-2-3-8(14)9(15)4-6/h2-4,7H,5H2,1H3,(H,16,18)(H,17,19)/t7-/m1/s1.
What are the key properties of (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 328.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 52897828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).