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

C21H17N3OS — CID 5093024

IUPAC3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1
InChIInChI=1S/C21H17N3OS/c1-13-5-3-6-15(11-13)19(25)23-18-12-16(9-8-14(18)2)20-24-17-7-4-10-22-21(17)26-20/h3-12H,1-2H3,(H,23,25)
InChIKeyYKRDHVWBMSMVOB-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.23
Rot. Bonds3

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

3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 5093024) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID5093024
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1
InChIInChI=1S/C21H17N3OS/c1-13-5-3-6-15(11-13)19(25)23-18-12-16(9-8-14(18)2)20-24-17-7-4-10-22-21(17)26-20/h3-12H,1-2H3,(H,23,25)
InChIKeyYKRDHVWBMSMVOB-UHFFFAOYSA-N
XLogP5.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 5093024) is 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1.
What is the InChIKey of 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is YKRDHVWBMSMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-13-5-3-6-15(11-13)19(25)23-18-12-16(9-8-14(18)2)20-24-17-7-4-10-22-21(17)26-20/h3-12H,1-2H3,(H,23,25).
What are the key properties of 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 5093024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).