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

C11H19N3OS — CID 56865836

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
SMILESCCC(NC(=O)CNC)c1nc(C)c(C)s1
InChIInChI=1S/C11H19N3OS/c1-5-9(14-10(15)6-12-4)11-13-7(2)8(3)16-11/h9,12H,5-6H2,1-4H3,(H,14,15)
InChIKeyJAVVFYQFMIMVSR-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.55
Rot. Bonds5

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

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide (PubChem CID 56865836) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
PubChem CID56865836
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
SMILESCCC(NC(=O)CNC)c1nc(C)c(C)s1
InChIInChI=1S/C11H19N3OS/c1-5-9(14-10(15)6-12-4)11-13-7(2)8(3)16-11/h9,12H,5-6H2,1-4H3,(H,14,15)
InChIKeyJAVVFYQFMIMVSR-UHFFFAOYSA-N
XLogP1.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide (CID 56865836) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide is CCC(NC(=O)CNC)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide?
The InChIKey is JAVVFYQFMIMVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-9(14-10(15)6-12-4)11-13-7(2)8(3)16-11/h9,12H,5-6H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide has a molecular weight of 241.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide is sourced from PubChem (CID 56865836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).