3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide

C13H24N4O2S — CID 106275758

IUPAC3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1sc(N(C)C)nc1OC
InChIInChI=1S/C13H24N4O2S/c1-13(2,11(18)14-3)8-15-7-9-10(19-6)16-12(20-9)17(4)5/h15H,7-8H2,1-6H3,(H,14,18)
InChIKeyMKKQUJVXIKAURO-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.08
Rot. Bonds7

About 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide

3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide (PubChem CID 106275758) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide
PubChem CID106275758
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1sc(N(C)C)nc1OC
InChIInChI=1S/C13H24N4O2S/c1-13(2,11(18)14-3)8-15-7-9-10(19-6)16-12(20-9)17(4)5/h15H,7-8H2,1-6H3,(H,14,18)
InChIKeyMKKQUJVXIKAURO-UHFFFAOYSA-N
XLogP1.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide (CID 106275758) is 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1sc(N(C)C)nc1OC.
What is the InChIKey of 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is MKKQUJVXIKAURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-13(2,11(18)14-3)8-15-7-9-10(19-6)16-12(20-9)17(4)5/h15H,7-8H2,1-6H3,(H,14,18).
What are the key properties of 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide?
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 300.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).