2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine

C18H13FN4S — CID 161022904

IUPAC2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1nc(Cc2ccccc2)cc(Cc2nc3cccnc3s2)n1
InChIInChI=1S/C18H13FN4S/c19-18-21-13(9-12-5-2-1-3-6-12)10-14(22-18)11-16-23-15-7-4-8-20-17(15)24-16/h1-8,10H,9,11H2
InChIKeyTYPLTTRAVXVABW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.80
Rot. Bonds4

About 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine

2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 161022904) has the molecular formula C18H13FN4S and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID161022904
Molecular FormulaC18H13FN4S
Molecular Weight336.40 g/mol
Exact Mass336.08
IUPAC Name2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFc1nc(Cc2ccccc2)cc(Cc2nc3cccnc3s2)n1
InChIInChI=1S/C18H13FN4S/c19-18-21-13(9-12-5-2-1-3-6-12)10-14(22-18)11-16-23-15-7-4-8-20-17(15)24-16/h1-8,10H,9,11H2
InChIKeyTYPLTTRAVXVABW-UHFFFAOYSA-N
XLogP3.80
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine (CID 161022904) is 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine is Fc1nc(Cc2ccccc2)cc(Cc2nc3cccnc3s2)n1.
What is the InChIKey of 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is TYPLTTRAVXVABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S/c19-18-21-13(9-12-5-2-1-3-6-12)10-14(22-18)11-16-23-15-7-4-8-20-17(15)24-16/h1-8,10H,9,11H2.
What are the key properties of 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 336.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-benzyl-2-fluoropyrimidin-4-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 161022904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).