(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C12H9ClFN3OS — CID 42590691

IUPAC(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)[C@H](c1c(F)cccc1Cl)CC(=O)N2
InChIInChI=1S/C12H9ClFN3OS/c13-6-2-1-3-7(14)9(6)5-4-8(18)16-11-10(5)19-12(15)17-11/h1-3,5H,4H2,(H2,15,17)(H,16,18)/t5-/m0/s1
InChIKeyIGCVJFYJGRWQSI-YFKPBYRVSA-N
MW297.74 g/mol
LogP2.99
Rot. Bonds1

About (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42590691) has the molecular formula C12H9ClFN3OS and a molecular weight of 297.74 g/mol. Its IUPAC name is (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID42590691
Molecular FormulaC12H9ClFN3OS
Molecular Weight297.74 g/mol
Exact Mass297.01
IUPAC Name(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)[C@H](c1c(F)cccc1Cl)CC(=O)N2
InChIInChI=1S/C12H9ClFN3OS/c13-6-2-1-3-7(14)9(6)5-4-8(18)16-11-10(5)19-12(15)17-11/h1-3,5H,4H2,(H2,15,17)(H,16,18)/t5-/m0/s1
InChIKeyIGCVJFYJGRWQSI-YFKPBYRVSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336852
(7S)-2-amino-7-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336811
(7S)-2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591026
(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39340520
(7R)-7-(2,6-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897599
(7R)-2-amino-7-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42558595
(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39334445
(7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42558816
2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654278
(7R)-2-amino-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591025
(5R)-5-(2-chloro-6-fluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774729
7-(2-chloro-6-fluorophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 16765700

Frequently Asked Questions

What is the IUPAC name of (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42590691) is (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)[C@H](c1c(F)cccc1Cl)CC(=O)N2.
What is the InChIKey of (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is IGCVJFYJGRWQSI-YFKPBYRVSA-N. The full InChI is InChI=1S/C12H9ClFN3OS/c13-6-2-1-3-7(14)9(6)5-4-8(18)16-11-10(5)19-12(15)17-11/h1-3,5H,4H2,(H2,15,17)(H,16,18)/t5-/m0/s1.
What are the key properties of (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 297.74 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42590691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).