N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide

C18H17N3O2S — CID 84566142

IUPACN-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Cn3ccc(C)cc3=O)n2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-6-7-21(18(23)8-12)10-17-20-16(11-24-17)14-4-3-5-15(9-14)19-13(2)22/h3-9,11H,10H2,1-2H3,(H,19,22)
InChIKeyGBSJSULBFYIYGR-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.29
Rot. Bonds4

About N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 84566142) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID84566142
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Cn3ccc(C)cc3=O)n2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-6-7-21(18(23)8-12)10-17-20-16(11-24-17)14-4-3-5-15(9-14)19-13(2)22/h3-9,11H,10H2,1-2H3,(H,19,22)
InChIKeyGBSJSULBFYIYGR-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566782
N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103173
1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566125
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide
CID 2877331
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 82154910
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110650544

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 84566142) is N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2csc(Cn3ccc(C)cc3=O)n2)c1.
What is the InChIKey of N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is GBSJSULBFYIYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-6-7-21(18(23)8-12)10-17-20-16(11-24-17)14-4-3-5-15(9-14)19-13(2)22/h3-9,11H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 84566142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).