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

C13H10ClFN2OS — CID 135988405

IUPAC4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
SMILESCc1nsc2c1C(c1cccc(Cl)c1F)CC(=O)N2
InChIInChI=1S/C13H10ClFN2OS/c1-6-11-8(5-10(18)16-13(11)19-17-6)7-3-2-4-9(14)12(7)15/h2-4,8H,5H2,1H3,(H,16,18)
InChIKeyDJNMNCSMZGXXOM-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.72
Rot. Bonds1

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

4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one (PubChem CID 135988405) has the molecular formula C13H10ClFN2OS and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
PubChem CID135988405
Molecular FormulaC13H10ClFN2OS
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
SMILESCc1nsc2c1C(c1cccc(Cl)c1F)CC(=O)N2
InChIInChI=1S/C13H10ClFN2OS/c1-6-11-8(5-10(18)16-13(11)19-17-6)7-3-2-4-9(14)12(7)15/h2-4,8H,5H2,1H3,(H,16,18)
InChIKeyDJNMNCSMZGXXOM-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136907573
(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136820684
4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 59140319
(4S)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136820809
4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 137266385
(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione
CID 95141736
(4R)-4-(2-chloro-6-fluorophenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800439
5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652575
3-(2,6-dichlorophenyl)pyrrolidine-2,5-dione
CID 163627145
9-(3-chloro-2-fluorophenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 171907621
(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 40645376
(4S)-4-(3-chloro-2-fluorophenyl)-1-[(4R)-2,2-dimethyloxan-4-yl]-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 97425842

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one (CID 135988405) is 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one is Cc1nsc2c1C(c1cccc(Cl)c1F)CC(=O)N2.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The InChIKey is DJNMNCSMZGXXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2OS/c1-6-11-8(5-10(18)16-13(11)19-17-6)7-3-2-4-9(14)12(7)15/h2-4,8H,5H2,1H3,(H,16,18).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one has a molecular weight of 296.75 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135988405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).