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

C22H19N3O2S — CID 3283143

IUPAC2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C
InChIInChI=1S/C22H19N3O2S/c1-3-27-19-9-5-4-7-16(19)20(26)24-18-13-15(11-10-14(18)2)21-25-17-8-6-12-23-22(17)28-21/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyKZSAMMROVMNBCM-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.32
Rot. Bonds5

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

2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 3283143) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID3283143
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C
InChIInChI=1S/C22H19N3O2S/c1-3-27-19-9-5-4-7-16(19)20(26)24-18-13-15(11-10-14(18)2)21-25-17-8-6-12-23-22(17)28-21/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyKZSAMMROVMNBCM-UHFFFAOYSA-N
XLogP5.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)acetamide
CID 3545119
n-(2-Methyl-5-1,3-thiazol-2-yl-phenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 67379418
N-[4-(1,3-benzothiazol-2-yl)benzyl]-2-methoxybenzamide
CID 979773
3,5-Dimethoxy-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 3556612
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-propoxybenzamide
CID 4947892
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-ethoxybenzamide
CID 9320918
N-(3-{[1,3]Thiazolo[5,4-B]pyridin-2-YL}phenyl)-9H-xanthene-9-carboxamide
CID 15944887
2,4-dimethoxy-N-(2-methyl-3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzamide
CID 16017293
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1,3-thiazol-2-yl)propyl]quinoline-7-carboxamide
CID 122431851
4-Butoxy-N-(3-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 5167171
N-(2-methyl-5-{[1,3]thiazolo[5,4-b]pyridin-2-yl}phenyl)furan-2-carboxamide
CID 3244844
2-Methoxy-N-[2-(3-{[(4-methylphenyl)methyl]sulfanyl}-1H-indol-1-YL)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 3283143) is 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C.
What is the InChIKey of 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is KZSAMMROVMNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-3-27-19-9-5-4-7-16(19)20(26)24-18-13-15(11-10-14(18)2)21-25-17-8-6-12-23-22(17)28-21/h4-13H,3H2,1-2H3,(H,24,26).
What are the key properties of 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 3283143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).