4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C20H14FN3O2S — CID 11494627

IUPAC4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCOc1cnc(-c2ccccc2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C20H14FN3O2S/c1-26-15-11-22-16(12-5-3-2-4-6-12)18-17(15)23-20(27-18)24-19(25)13-7-9-14(21)10-8-13/h2-11H,1H3,(H,23,24,25)
InChIKeyLSBCLIWWZBCTQB-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.76
Rot. Bonds4

About 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 11494627) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID11494627
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCOc1cnc(-c2ccccc2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C20H14FN3O2S/c1-26-15-11-22-16(12-5-3-2-4-6-12)18-17(15)23-20(27-18)24-19(25)13-7-9-14(21)10-8-13/h2-11H,1H3,(H,23,24,25)
InChIKeyLSBCLIWWZBCTQB-UHFFFAOYSA-N
XLogP4.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 11494627) is 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is COc1cnc(-c2ccccc2)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is LSBCLIWWZBCTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-26-15-11-22-16(12-5-3-2-4-6-12)18-17(15)23-20(27-18)24-19(25)13-7-9-14(21)10-8-13/h2-11H,1H3,(H,23,24,25).
What are the key properties of 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-methoxy-4-phenyl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 11494627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).