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

C22H19N3O3S — CID 121024913

IUPAC2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c1
InChIInChI=1S/C22H19N3O3S/c1-13-15(21-25-18-8-5-11-23-22(18)29-21)6-4-7-17(13)24-20(26)16-12-14(27-2)9-10-19(16)28-3/h4-12H,1-3H3,(H,24,26)
InChIKeyGHGISMAJUKRIGO-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.94
Rot. Bonds5

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

2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 121024913) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID121024913
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c1
InChIInChI=1S/C22H19N3O3S/c1-13-15(21-25-18-8-5-11-23-22(18)29-21)6-4-7-17(13)24-20(26)16-12-14(27-2)9-10-19(16)28-3/h4-12H,1-3H3,(H,24,26)
InChIKeyGHGISMAJUKRIGO-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

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16815202
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121025035
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 121024897
2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 3292217
4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 113305036
2-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858869
(E)-3-(2-chlorophenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024942
2-(benzimidazol-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121025018
2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858904
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide
CID 43955372

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 121024913) is 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is COc1ccc(OC)c(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is GHGISMAJUKRIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-13-15(21-25-18-8-5-11-23-22(18)29-21)6-4-7-17(13)24-20(26)16-12-14(27-2)9-10-19(16)28-3/h4-12H,1-3H3,(H,24,26).
What are the key properties of 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
2,5-dimethoxy-N-[2-methyl-3-([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 2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 121024913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).