2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide

C8H13N3OS — CID 82112319

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1csc(CN)n1
InChIInChI=1S/C8H13N3OS/c1-11(2)8(12)3-6-5-13-7(4-9)10-6/h5H,3-4,9H2,1-2H3
InChIKeyLICUMOKWLOMVBB-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.23
Rot. Bonds3

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide (PubChem CID 82112319) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
PubChem CID82112319
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1csc(CN)n1
InChIInChI=1S/C8H13N3OS/c1-11(2)8(12)3-6-5-13-7(4-9)10-6/h5H,3-4,9H2,1-2H3
InChIKeyLICUMOKWLOMVBB-UHFFFAOYSA-N
XLogP0.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 64787196
2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43249455
ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate
CID 62011847
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-[4-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 79410604
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 110451038
2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43247566
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 47293285
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide (CID 82112319) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1csc(CN)n1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide?
The InChIKey is LICUMOKWLOMVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-11(2)8(12)3-6-5-13-7(4-9)10-6/h5H,3-4,9H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide has a molecular weight of 199.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 82112319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).