2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide

C9H15N3OS — CID 47053575

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
SMILESCCc1nc(CN(C)CC(N)=O)cs1
InChIInChI=1S/C9H15N3OS/c1-3-9-11-7(6-14-9)4-12(2)5-8(10)13/h6H,3-5H2,1-2H3,(H2,10,13)
InChIKeyYJBDYTKMYIJYBK-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.62
Rot. Bonds5

About 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide

2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide (PubChem CID 47053575) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
PubChem CID47053575
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
SMILESCCc1nc(CN(C)CC(N)=O)cs1
InChIInChI=1S/C9H15N3OS/c1-3-9-11-7(6-14-9)4-12(2)5-8(10)13/h6H,3-5H2,1-2H3,(H2,10,13)
InChIKeyYJBDYTKMYIJYBK-UHFFFAOYSA-N
XLogP0.62
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide (CID 47053575) is 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide is CCc1nc(CN(C)CC(N)=O)cs1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is YJBDYTKMYIJYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-9-11-7(6-14-9)4-12(2)5-8(10)13/h6H,3-5H2,1-2H3,(H2,10,13).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide?
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 213.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 47053575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).