2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide

C16H21N3O2S — CID 138017145

IUPAC2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide
SMILESCc1sc(=O)n(CC(=O)NCC(C)(C)c2ccccn2)c1C
InChIInChI=1S/C16H21N3O2S/c1-11-12(2)22-15(21)19(11)9-14(20)18-10-16(3,4)13-7-5-6-8-17-13/h5-8H,9-10H2,1-4H3,(H,18,20)
InChIKeyTVWCAMVGJUUCLU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.02
Rot. Bonds5

About 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide

2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide (PubChem CID 138017145) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide
PubChem CID138017145
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide
SMILESCc1sc(=O)n(CC(=O)NCC(C)(C)c2ccccn2)c1C
InChIInChI=1S/C16H21N3O2S/c1-11-12(2)22-15(21)19(11)9-14(20)18-10-16(3,4)13-7-5-6-8-17-13/h5-8H,9-10H2,1-4H3,(H,18,20)
InChIKeyTVWCAMVGJUUCLU-UHFFFAOYSA-N
XLogP2.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111442092
5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
CID 115163912
N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 154844001
1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
CID 115182494
2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide
CID 10162698
2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide
CID 115465599
N-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 115262628
3-amino-N-(2-methyl-2-pyridin-2-ylpropyl)cyclobutane-1-carboxamide
CID 115161770
3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
CID 115122517
N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312237
3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 55204651
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide (CID 138017145) is 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide is Cc1sc(=O)n(CC(=O)NCC(C)(C)c2ccccn2)c1C.
What is the InChIKey of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide?
The InChIKey is TVWCAMVGJUUCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-12(2)22-15(21)19(11)9-14(20)18-10-16(3,4)13-7-5-6-8-17-13/h5-8H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide?
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-2-pyridin-2-ylpropyl)acetamide is sourced from PubChem (CID 138017145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).