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

C23H21N3O2S — CID 121024515

IUPAC2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)c1
InChIInChI=1S/C23H21N3O2S/c1-14-6-4-7-18(12-14)28-16(3)21(27)25-19-10-9-17(13-15(19)2)22-26-20-8-5-11-24-23(20)29-22/h4-13,16H,1-3H3,(H,25,27)
InChIKeyRBKPXSBUVVMMRE-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.38
Rot. Bonds5

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

2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 121024515) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
PubChem CID121024515
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)c1
InChIInChI=1S/C23H21N3O2S/c1-14-6-4-7-18(12-14)28-16(3)21(27)25-19-10-9-17(13-15(19)2)22-26-20-8-5-11-24-23(20)29-22/h4-13,16H,1-3H3,(H,25,27)
InChIKeyRBKPXSBUVVMMRE-UHFFFAOYSA-N
XLogP5.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497
2-(4-ethoxyphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024502
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024696
N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 4931464
2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 7087656
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
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-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
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-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (CID 121024515) is 2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is RBKPXSBUVVMMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-14-6-4-7-18(12-14)28-16(3)21(27)25-19-10-9-17(13-15(19)2)22-26-20-8-5-11-24-23(20)29-22/h4-13,16H,1-3H3,(H,25,27).
What are the key properties of 2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 403.51 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 121024515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).