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

C15H17N3O2S — CID 3944789

IUPAC3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C15H17N3O2S/c1-18-7-6-12-13(9-18)21-15(16-12)17-14(19)10-4-3-5-11(8-10)20-2/h3-5,8H,6-7,9H2,1-2H3,(H,16,17,19)
InChIKeyXYQATWMKJHDXPO-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.39
Rot. Bonds3

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

3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 3944789) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID3944789
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1
InChIInChI=1S/C15H17N3O2S/c1-18-7-6-12-13(9-18)21-15(16-12)17-14(19)10-4-3-5-11(8-10)20-2/h3-5,8H,6-7,9H2,1-2H3,(H,16,17,19)
InChIKeyXYQATWMKJHDXPO-UHFFFAOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 3944789) is 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is COc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1.
What is the InChIKey of 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is XYQATWMKJHDXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18-7-6-12-13(9-18)21-15(16-12)17-14(19)10-4-3-5-11(8-10)20-2/h3-5,8H,6-7,9H2,1-2H3,(H,16,17,19).
What are the key properties of 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 303.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 3944789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).