N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide

C19H19N3O2S — CID 4011297

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1
InChIInChI=1S/C19H19N3O2S/c1-12-8-13(2)18(14(3)9-12)24-10-17(23)22-19-21-16(11-25-19)15-6-4-5-7-20-15/h4-9,11H,10H2,1-3H3,(H,21,22,23)
InChIKeyGFIBBYANFXZDMS-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.15
Rot. Bonds5

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 4011297) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID4011297
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1
InChIInChI=1S/C19H19N3O2S/c1-12-8-13(2)18(14(3)9-12)24-10-17(23)22-19-21-16(11-25-19)15-6-4-5-7-20-15/h4-9,11H,10H2,1-3H3,(H,21,22,23)
InChIKeyGFIBBYANFXZDMS-UHFFFAOYSA-N
XLogP4.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 41163697
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 108744443
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196976
2-(4-methylindol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 53370994
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 41164474
(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2496684
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 122143857

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 4011297) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is GFIBBYANFXZDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-8-13(2)18(14(3)9-12)24-10-17(23)22-19-21-16(11-25-19)15-6-4-5-7-20-15/h4-9,11H,10H2,1-3H3,(H,21,22,23).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 353.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 4011297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).