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

C18H17FN4O3S — CID 11596214

IUPAC4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCOc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C18H17FN4O3S/c1-25-13-10-20-16(23-6-8-26-9-7-23)15-14(13)21-18(27-15)22-17(24)11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3,(H,21,22,24)
InChIKeyIVSNRJJOEPNTNL-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.93
Rot. Bonds4

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

4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 11596214) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID11596214
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCOc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C18H17FN4O3S/c1-25-13-10-20-16(23-6-8-26-9-7-23)15-14(13)21-18(27-15)22-17(24)11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3,(H,21,22,24)
InChIKeyIVSNRJJOEPNTNL-UHFFFAOYSA-N
XLogP2.93
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 11596214) is 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is IVSNRJJOEPNTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-25-13-10-20-16(23-6-8-26-9-7-23)15-14(13)21-18(27-15)22-17(24)11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3,(H,21,22,24).
What are the key properties of 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 388.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 11596214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).