2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide

C8H13N3OS — CID 82547688

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCNC(=O)Cc1csc(C(C)N)n1
InChIInChI=1S/C8H13N3OS/c1-5(9)8-11-6(4-13-8)3-7(12)10-2/h4-5H,3,9H2,1-2H3,(H,10,12)
InChIKeyZBMPCBLXUBLTSK-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.45
Rot. Bonds3

About 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide (PubChem CID 82547688) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
PubChem CID82547688
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCNC(=O)Cc1csc(C(C)N)n1
InChIInChI=1S/C8H13N3OS/c1-5(9)8-11-6(4-13-8)3-7(12)10-2/h4-5H,3,9H2,1-2H3,(H,10,12)
InChIKeyZBMPCBLXUBLTSK-UHFFFAOYSA-N
XLogP0.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547666
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 82547658
5-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 110451029
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 82547633
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547706
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 82547915

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide (CID 82547688) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide is CNC(=O)Cc1csc(C(C)N)n1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The InChIKey is ZBMPCBLXUBLTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(9)8-11-6(4-13-8)3-7(12)10-2/h4-5H,3,9H2,1-2H3,(H,10,12).
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide has a molecular weight of 199.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 82547688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).