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

C22H19N3O3S — CID 3292217

IUPAC2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1OC
InChIInChI=1S/C22H19N3O3S/c1-13-9-10-14(21-25-16-7-5-11-23-22(16)29-21)12-17(13)24-20(26)15-6-4-8-18(27-2)19(15)28-3/h4-12H,1-3H3,(H,24,26)
InChIKeyVQGRUMVSSHWBFA-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.94
Rot. Bonds5

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

2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 3292217) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID3292217
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1OC
InChIInChI=1S/C22H19N3O3S/c1-13-9-10-14(21-25-16-7-5-11-23-22(16)29-21)12-17(13)24-20(26)15-6-4-8-18(27-2)19(15)28-3/h4-12H,1-3H3,(H,24,26)
InChIKeyVQGRUMVSSHWBFA-UHFFFAOYSA-N
XLogP4.94
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024794
1-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxopyridine-3-carboxamide
CID 121024820
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 121024749
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024701
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121024802
(E)-3-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024683
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024811
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024696

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 3292217) is 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is VQGRUMVSSHWBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-13-9-10-14(21-25-16-7-5-11-23-22(16)29-21)12-17(13)24-20(26)15-6-4-8-18(27-2)19(15)28-3/h4-12H,1-3H3,(H,24,26).
What are the key properties of 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 3292217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).