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

C21H17N3OS — CID 7141315

IUPAC2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1
InChIInChI=1S/C21H17N3OS/c1-14-4-2-5-15(12-14)13-19(25)23-17-9-7-16(8-10-17)20-24-18-6-3-11-22-21(18)26-20/h2-12H,13H2,1H3,(H,23,25)
InChIKeyDPNQJDKLKZQNRB-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.85
Rot. Bonds4

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

2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 7141315) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID7141315
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1
InChIInChI=1S/C21H17N3OS/c1-14-4-2-5-15(12-14)13-19(25)23-17-9-7-16(8-10-17)20-24-18-6-3-11-22-21(18)26-20/h2-12H,13H2,1H3,(H,23,25)
InChIKeyDPNQJDKLKZQNRB-UHFFFAOYSA-N
XLogP4.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 40998801
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714
2-pyridin-3-yloxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024419
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024411
4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 121024336
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
2-(2,5-dimethylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024504
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide (CID 7141315) is 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is Cc1cccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is DPNQJDKLKZQNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14-4-2-5-15(12-14)13-19(25)23-17-9-7-16(8-10-17)20-24-18-6-3-11-22-21(18)26-20/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide?
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 7141315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).