3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide

C14H25N3OS — CID 63752618

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1sc(C)nc1C
InChIInChI=1S/C14H25N3OS/c1-6-17(7-2)13(18)8-9-15-10(3)14-11(4)16-12(5)19-14/h10,15H,6-9H2,1-5H3
InChIKeyXWIWYHVHNNKZTP-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.67
Rot. Bonds7

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide (PubChem CID 63752618) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide
PubChem CID63752618
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1sc(C)nc1C
InChIInChI=1S/C14H25N3OS/c1-6-17(7-2)13(18)8-9-15-10(3)14-11(4)16-12(5)19-14/h10,15H,6-9H2,1-5H3
InChIKeyXWIWYHVHNNKZTP-UHFFFAOYSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide (CID 63752618) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(C)c1sc(C)nc1C.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is XWIWYHVHNNKZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-17(7-2)13(18)8-9-15-10(3)14-11(4)16-12(5)19-14/h10,15H,6-9H2,1-5H3.
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 283.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 63752618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).