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

C12H21N3OS — CID 75504825

IUPAC2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide
SMILESCCc1nc(C(C)NC(C)C(=O)N(C)C)cs1
InChIInChI=1S/C12H21N3OS/c1-6-11-14-10(7-17-11)8(2)13-9(3)12(16)15(4)5/h7-9,13H,6H2,1-5H3
InChIKeyGCVWCFDCUSFVFC-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.83
Rot. Bonds5

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

2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 75504825) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide
PubChem CID75504825
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide
SMILESCCc1nc(C(C)NC(C)C(=O)N(C)C)cs1
InChIInChI=1S/C12H21N3OS/c1-6-11-14-10(7-17-11)8(2)13-9(3)12(16)15(4)5/h7-9,13H,6H2,1-5H3
InChIKeyGCVWCFDCUSFVFC-UHFFFAOYSA-N
XLogP1.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide (CID 75504825) is 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide is CCc1nc(C(C)NC(C)C(=O)N(C)C)cs1.
What is the InChIKey of 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is GCVWCFDCUSFVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-6-11-14-10(7-17-11)8(2)13-9(3)12(16)15(4)5/h7-9,13H,6H2,1-5H3.
What are the key properties of 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide?
2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 75504825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).