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

C23H18N4OS — CID 121024809

IUPAC2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C23H18N4OS/c1-15-8-9-17(22-26-18-6-4-11-24-23(18)29-22)13-19(15)25-21(28)14-27-12-10-16-5-2-3-7-20(16)27/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWHNXUZGVFHYALN-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.26
Rot. Bonds4

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

2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 121024809) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID121024809
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C23H18N4OS/c1-15-8-9-17(22-26-18-6-4-11-24-23(18)29-22)13-19(15)25-21(28)14-27-12-10-16-5-2-3-7-20(16)27/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWHNXUZGVFHYALN-UHFFFAOYSA-N
XLogP5.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714
3-cyclohexyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 3531765
1-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxopyridine-3-carboxamide
CID 121024820
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024665
2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024411
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]-9H-xanthene-9-carboxamide
CID 15944888
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024521
2-(benzimidazol-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121025018
(E)-3-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024683
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121024802

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (CID 121024809) is 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)Cn1ccc2ccccc21.
What is the InChIKey of 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is WHNXUZGVFHYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-15-8-9-17(22-26-18-6-4-11-24-23(18)29-22)13-19(15)25-21(28)14-27-12-10-16-5-2-3-7-20(16)27/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 121024809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).