N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide

C12H20N2O2S — CID 110398286

IUPACN-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
SMILESCOCc1nc(CCNC(=O)C(C)(C)C)cs1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)11(15)13-6-5-9-8-17-10(14-9)7-16-4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyOWEKRWYVXOEKAL-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.99
Rot. Bonds5

About N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 110398286) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID110398286
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
SMILESCOCc1nc(CCNC(=O)C(C)(C)C)cs1
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)11(15)13-6-5-9-8-17-10(14-9)7-16-4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyOWEKRWYVXOEKAL-UHFFFAOYSA-N
XLogP1.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110398339
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide
CID 110398327
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
4-tert-butyl-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398436
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 110398405
4-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylcarbamoylamino]methyl]benzoic acid
CID 122014806
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110374660
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122066295

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide (CID 110398286) is N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide is COCc1nc(CCNC(=O)C(C)(C)C)cs1.
What is the InChIKey of N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is OWEKRWYVXOEKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)11(15)13-6-5-9-8-17-10(14-9)7-16-4/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 256.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110398286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).