2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C12H20N2O2S2 — CID 111436192

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCCc1nc(CC(=O)NCC(C)(O)CSC)cs1
InChIInChI=1S/C12H20N2O2S2/c1-4-11-14-9(6-18-11)5-10(15)13-7-12(2,16)8-17-3/h6,16H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyGCWHPSKSZYKZQH-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.48
Rot. Bonds7

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 111436192) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID111436192
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCCc1nc(CC(=O)NCC(C)(O)CSC)cs1
InChIInChI=1S/C12H20N2O2S2/c1-4-11-14-9(6-18-11)5-10(15)13-7-12(2,16)8-17-3/h6,16H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyGCWHPSKSZYKZQH-UHFFFAOYSA-N
XLogP1.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide
CID 47378517
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
CID 103461497
2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 47466332
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 119606699
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209
2-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253619
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198788
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
CID 99695648

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 111436192) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CCc1nc(CC(=O)NCC(C)(O)CSC)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is GCWHPSKSZYKZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-4-11-14-9(6-18-11)5-10(15)13-7-12(2,16)8-17-3/h6,16H,4-5,7-8H2,1-3H3,(H,13,15).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 288.44 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 111436192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).