2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C12H8FN3OS — CID 66757824

IUPAC2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(-c3ccc(F)cc3)nc2c(=O)[nH]1
InChIInChI=1S/C12H8FN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17)
InChIKeyOYECRNGLIYYTBL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.49
Rot. Bonds1

About 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 66757824) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID66757824
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1nc2sc(-c3ccc(F)cc3)nc2c(=O)[nH]1
InChIInChI=1S/C12H8FN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17)
InChIKeyOYECRNGLIYYTBL-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2,6-difluorophenyl)-N-[1-[(2R)-2-ethylpiperazin-1-yl]-3-imino-1-methyliminopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 91808718
5-amino-N-[1-[(5S)-5-amino-3,3-difluoroazepan-1-yl]-3-imino-1-methyliminopropan-2-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 91808720
5-amino-N-[1-[(5R)-5-amino-3,3-difluoroazepan-1-yl]-3-imino-1-methyliminopropan-2-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 91808721
5-amino-N-[1-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-3-imino-1-methyliminopropan-2-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 91808722
5-methyl-2-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733025
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027
2-(4-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733028
5-methyl-2-(3-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733033
2-(3-chlorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733034
2-(3-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733035
2-benzyl-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733037
5-methyl-2-(3-methylanilino)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733049

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 66757824) is 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1nc2sc(-c3ccc(F)cc3)nc2c(=O)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is OYECRNGLIYYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17).
What are the key properties of 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 261.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 66757824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).