7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine

C17H15F2N3OS — CID 168887939

IUPAC7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCc1nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2s1
InChIInChI=1S/C17H15F2N3OS/c1-9-20-17-15(24-9)14(12-3-2-11(18)8-13(12)19)21-16(22-17)10-4-6-23-7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyDNCQXNVFMZGFMX-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.23
Rot. Bonds2

About 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine

7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 168887939) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID168887939
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCc1nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2s1
InChIInChI=1S/C17H15F2N3OS/c1-9-20-17-15(24-9)14(12-3-2-11(18)8-13(12)19)21-16(22-17)10-4-6-23-7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyDNCQXNVFMZGFMX-UHFFFAOYSA-N
XLogP4.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
CID 157044570
1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881
7-(2,4-difluorophenyl)-2-methyl-5-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 168887641
7-(2,4-difluorophenyl)-2-methyl-5-[2-(2-methyl-4-pyridinyl)oxan-4-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 168887844
1-cyclopropylpyrazole;1-(2,4-difluorophenyl)-3-(oxan-4-yl)-7,8-dihydro-6H-purino[7,8-a]pyrrole
CID 168887860
2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)-5-(1H-pyrazol-4-yl)-7,8-dihydro-6H-pteridine
CID 175546362
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-methyloxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045169
2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
CID 166122917
4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122662

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine (CID 168887939) is 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine is Cc1nc2nc(C3CCOCC3)nc(-c3ccc(F)cc3F)c2s1.
What is the InChIKey of 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is DNCQXNVFMZGFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c1-9-20-17-15(24-9)14(12-3-2-11(18)8-13(12)19)21-16(22-17)10-4-6-23-7-5-10/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine?
7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 347.39 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 168887939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).