2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide

C11H21N3O2S — CID 114210975

IUPAC2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide
SMILESCOCCC1CSC(NC(C)C(=O)N(C)C)=N1
InChIInChI=1S/C11H21N3O2S/c1-8(10(15)14(2)3)12-11-13-9(7-17-11)5-6-16-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyQHYVEVTUBPUPGM-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.56
Rot. Bonds5

About 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide

2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide (PubChem CID 114210975) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide
PubChem CID114210975
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide
SMILESCOCCC1CSC(NC(C)C(=O)N(C)C)=N1
InChIInChI=1S/C11H21N3O2S/c1-8(10(15)14(2)3)12-11-13-9(7-17-11)5-6-16-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyQHYVEVTUBPUPGM-UHFFFAOYSA-N
XLogP0.56
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide (CID 114210975) is 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide is COCCC1CSC(NC(C)C(=O)N(C)C)=N1.
What is the InChIKey of 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is QHYVEVTUBPUPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-8(10(15)14(2)3)12-11-13-9(7-17-11)5-6-16-4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide?
2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 259.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 114210975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).