2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C14H13F2N3OS — CID 82799082

IUPAC2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2nc3c(s2)CNCC3)c1F
InChIInChI=1S/C14H13F2N3OS/c1-7-2-3-8(15)11(12(7)16)13(20)19-14-18-9-4-5-17-6-10(9)21-14/h2-3,17H,4-6H2,1H3,(H,18,19,20)
InChIKeyWSPGRNZVDQSDTJ-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.63
Rot. Bonds2

About 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 82799082) has the molecular formula C14H13F2N3OS and a molecular weight of 309.34 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID82799082
Molecular FormulaC14H13F2N3OS
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2nc3c(s2)CNCC3)c1F
InChIInChI=1S/C14H13F2N3OS/c1-7-2-3-8(15)11(12(7)16)13(20)19-14-18-9-4-5-17-6-10(9)21-14/h2-3,17H,4-6H2,1H3,(H,18,19,20)
InChIKeyWSPGRNZVDQSDTJ-UHFFFAOYSA-N
XLogP2.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 82799082) is 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is Cc1ccc(F)c(C(=O)Nc2nc3c(s2)CNCC3)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is WSPGRNZVDQSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3OS/c1-7-2-3-8(15)11(12(7)16)13(20)19-14-18-9-4-5-17-6-10(9)21-14/h2-3,17H,4-6H2,1H3,(H,18,19,20).
What are the key properties of 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 309.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 82799082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).