3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine

C16H14FN3OS2 — CID 51670956

IUPAC3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine
SMILESFc1ccc(-c2nsc3c(SC[C@H]4CCCO4)ncnc23)cc1
InChIInChI=1S/C16H14FN3OS2/c17-11-5-3-10(4-6-11)13-14-15(23-20-13)16(19-9-18-14)22-8-12-2-1-7-21-12/h3-6,9,12H,1-2,7-8H2/t12-/m1/s1
InChIKeyQINVWQCLWNFYFV-GFCCVEGCSA-N
MW347.44 g/mol
LogP4.16
Rot. Bonds4

About 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine

3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine (PubChem CID 51670956) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine
PubChem CID51670956
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC Name3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine
SMILESFc1ccc(-c2nsc3c(SC[C@H]4CCCO4)ncnc23)cc1
InChIInChI=1S/C16H14FN3OS2/c17-11-5-3-10(4-6-11)13-14-15(23-20-13)16(19-9-18-14)22-8-12-2-1-7-21-12/h3-6,9,12H,1-2,7-8H2/t12-/m1/s1
InChIKeyQINVWQCLWNFYFV-GFCCVEGCSA-N
XLogP4.16
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine (CID 51670956) is 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine is Fc1ccc(-c2nsc3c(SC[C@H]4CCCO4)ncnc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine?
The InChIKey is QINVWQCLWNFYFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c17-11-5-3-10(4-6-11)13-14-15(23-20-13)16(19-9-18-14)22-8-12-2-1-7-21-12/h3-6,9,12H,1-2,7-8H2/t12-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine?
3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine has a molecular weight of 347.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-[[(2R)-oxolan-2-yl]methylsulfanyl]-[1,2]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 51670956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).