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

C12H21N3OS — CID 103824241

IUPAC3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1sc(C)nc1C
InChIInChI=1S/C12H21N3OS/c1-8-10(17-9(2)15-8)6-14-7-12(3,4)11(16)13-5/h14H,6-7H2,1-5H3,(H,13,16)
InChIKeyVACRNIBEALUUBG-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.62
Rot. Bonds5

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

3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824241) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID103824241
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1sc(C)nc1C
InChIInChI=1S/C12H21N3OS/c1-8-10(17-9(2)15-8)6-14-7-12(3,4)11(16)13-5/h14H,6-7H2,1-5H3,(H,13,16)
InChIKeyVACRNIBEALUUBG-UHFFFAOYSA-N
XLogP1.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide (CID 103824241) is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1sc(C)nc1C.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is VACRNIBEALUUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-10(17-9(2)15-8)6-14-7-12(3,4)11(16)13-5/h14H,6-7H2,1-5H3,(H,13,16).
What are the key properties of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide?
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).