7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H12FN3OS — CID 17458961

IUPAC7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(F)ccc1NCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H12FN3OS/c1-9-6-10(15)2-3-12(9)16-8-11-7-13(19)18-4-5-20-14(18)17-11/h2-7,16H,8H2,1H3
InChIKeyCEVQDIFUMZLTJD-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.82
Rot. Bonds3

About 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17458961) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17458961
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(F)ccc1NCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H12FN3OS/c1-9-6-10(15)2-3-12(9)16-8-11-7-13(19)18-4-5-20-14(18)17-11/h2-7,16H,8H2,1H3
InChIKeyCEVQDIFUMZLTJD-UHFFFAOYSA-N
XLogP2.82
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 135432371
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
7-(3,4-dihydro-2H-quinolin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4233844
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118017591
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
7-[[3,5-Bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2490141
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 2523532
7-[[4-(2,3-Dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2572164
7-(2,3-Dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2997591
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3410516
N-(2-ethylphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3561054

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17458961) is 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(F)ccc1NCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CEVQDIFUMZLTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-9-6-10(15)2-3-12(9)16-8-11-7-13(19)18-4-5-20-14(18)17-11/h2-7,16H,8H2,1H3.
What are the key properties of 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 289.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17458961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).