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

C19H21N3OS — CID 7087656

IUPAC2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C
InChIInChI=1S/C19H21N3OS/c1-4-13(5-2)17(23)21-15-9-8-14(11-12(15)3)18-22-16-7-6-10-20-19(16)24-18/h6-11,13H,4-5H2,1-3H3,(H,21,23)
InChIKeyDQIJSFAYCSJFTB-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.04
Rot. Bonds5

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

2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide (PubChem CID 7087656) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
PubChem CID7087656
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C
InChIInChI=1S/C19H21N3OS/c1-4-13(5-2)17(23)21-15-9-8-14(11-12(15)3)18-22-16-7-6-10-20-19(16)24-18/h6-11,13H,4-5H2,1-3H3,(H,21,23)
InChIKeyDQIJSFAYCSJFTB-UHFFFAOYSA-N
XLogP5.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
2-(4-ethoxyphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024502
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366
2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024515
2-(3-bromophenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 40998801
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024665
6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 7087663
2-(2-fluorophenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024575
2-(4-fluorophenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024589
2-(2,5-dimethylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024504

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide (CID 7087656) is 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C.
What is the InChIKey of 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The InChIKey is DQIJSFAYCSJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-4-13(5-2)17(23)21-15-9-8-14(11-12(15)3)18-22-16-7-6-10-20-19(16)24-18/h6-11,13H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide has a molecular weight of 339.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 7087656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).