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

C13H12ClN3OS — CID 51053056

IUPAC7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCNc1nc2c(s1)C(c1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C13H12ClN3OS/c1-15-13-17-12-11(19-13)9(6-10(18)16-12)7-2-4-8(14)5-3-7/h2-5,9H,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyYQFHQWUXJFAAKM-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.31
Rot. Bonds2

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

7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51053056) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID51053056
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCNc1nc2c(s1)C(c1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C13H12ClN3OS/c1-15-13-17-12-11(19-13)9(6-10(18)16-12)7-2-4-8(14)5-3-7/h2-5,9H,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyYQFHQWUXJFAAKM-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 51053056) is 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is CNc1nc2c(s1)C(c1ccc(Cl)cc1)CC(=O)N2.
What is the InChIKey of 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is YQFHQWUXJFAAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-15-13-17-12-11(19-13)9(6-10(18)16-12)7-2-4-8(14)5-3-7/h2-5,9H,6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 293.78 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51053056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).