2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide

C20H13F2N3OS — CID 7087642

IUPAC2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H13F2N3OS/c1-11-9-12(19-25-17-3-2-8-23-20(17)27-19)4-7-16(11)24-18(26)14-6-5-13(21)10-15(14)22/h2-10H,1H3,(H,24,26)
InChIKeyRPQQELQKBRIMMC-UHFFFAOYSA-N
MW381.41 g/mol
LogP5.20
Rot. Bonds3

About 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide

2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 7087642) has the molecular formula C20H13F2N3OS and a molecular weight of 381.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID7087642
Molecular FormulaC20H13F2N3OS
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC Name2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H13F2N3OS/c1-11-9-12(19-25-17-3-2-8-23-20(17)27-19)4-7-16(11)24-18(26)14-6-5-13(21)10-15(14)22/h2-10H,1H3,(H,24,26)
InChIKeyRPQQELQKBRIMMC-UHFFFAOYSA-N
XLogP5.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 7087642) is 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is RPQQELQKBRIMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3OS/c1-11-9-12(19-25-17-3-2-8-23-20(17)27-19)4-7-16(11)24-18(26)14-6-5-13(21)10-15(14)22/h2-10H,1H3,(H,24,26).
What are the key properties of 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 381.41 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7087642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).