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

C19H18FN3O3S — CID 86597279

IUPAC4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCOc1cnc(C2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C19H18FN3O3S/c1-25-14-10-21-15(11-6-8-26-9-7-11)17-16(14)22-19(27-17)23-18(24)12-2-4-13(20)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,22,23,24)
InChIKeyTUMMAAJNHMBQFP-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.99
Rot. Bonds4

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

4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (PubChem CID 86597279) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
PubChem CID86597279
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCOc1cnc(C2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C19H18FN3O3S/c1-25-14-10-21-15(11-6-8-26-9-7-11)17-16(14)22-19(27-17)23-18(24)12-2-4-13(20)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,22,23,24)
InChIKeyTUMMAAJNHMBQFP-UHFFFAOYSA-N
XLogP3.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (CID 86597279) is 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is COc1cnc(C2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The InChIKey is TUMMAAJNHMBQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-25-14-10-21-15(11-6-8-26-9-7-11)17-16(14)22-19(27-17)23-18(24)12-2-4-13(20)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,22,23,24).
What are the key properties of 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 86597279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).