N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide

C16H26N2O2S2 — CID 50977238

IUPACN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESCCSc1nc(CC(=O)N(CC)C2CCOC(C)(C)C2)cs1
InChIInChI=1S/C16H26N2O2S2/c1-5-18(13-7-8-20-16(3,4)10-13)14(19)9-12-11-22-15(17-12)21-6-2/h11,13H,5-10H2,1-4H3
InChIKeyNMGSCCGKGVNROO-UHFFFAOYSA-N
MW342.53 g/mol
LogP3.60
Rot. Bonds6

About N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide

N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide (PubChem CID 50977238) has the molecular formula C16H26N2O2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
PubChem CID50977238
Molecular FormulaC16H26N2O2S2
Molecular Weight342.53 g/mol
Exact Mass342.14
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESCCSc1nc(CC(=O)N(CC)C2CCOC(C)(C)C2)cs1
InChIInChI=1S/C16H26N2O2S2/c1-5-18(13-7-8-20-16(3,4)10-13)14(19)9-12-11-22-15(17-12)21-6-2/h11,13H,5-10H2,1-4H3
InChIKeyNMGSCCGKGVNROO-UHFFFAOYSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 72109744
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)thio]acetamide
CID 91776923
1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
CID 142437303
1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
CID 142437313
N-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
CID 52397303
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide
CID 52397304
1-[4-(Ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56789549
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylacetamide
CID 56794877
2-(3-Methoxypropyl)-1-[(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine
CID 70739243
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71874470
1-(4-Ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 71938537
9-{[2-(Ethylthio)-1,3-thiazol-4-yl]acetyl}-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 72853278

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide (CID 50977238) is N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide is CCSc1nc(CC(=O)N(CC)C2CCOC(C)(C)C2)cs1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is NMGSCCGKGVNROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S2/c1-5-18(13-7-8-20-16(3,4)10-13)14(19)9-12-11-22-15(17-12)21-6-2/h11,13H,5-10H2,1-4H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide?
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 342.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 50977238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).