2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid

C9H15N3O2S — CID 107424767

IUPAC2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)c1nccs1
InChIInChI=1S/C9H15N3O2S/c1-11(2)4-5-12(7-8(13)14)9-10-3-6-15-9/h3,6H,4-5,7H2,1-2H3,(H,13,14)
InChIKeyZGSJFVRBUICMCG-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.60
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 107424767) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
PubChem CID107424767
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)c1nccs1
InChIInChI=1S/C9H15N3O2S/c1-11(2)4-5-12(7-8(13)14)9-10-3-6-15-9/h3,6H,4-5,7H2,1-2H3,(H,13,14)
InChIKeyZGSJFVRBUICMCG-UHFFFAOYSA-N
XLogP0.60
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-methylphenyl)-2-oxoethyl]-(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310408
3-[2-methylpropyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82310239
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
3-[(4-methylphenyl)methyl-(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309727
2-[methyl-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
CID 66568664
3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 62854028
3-[(4-tert-butylphenyl)methyl-(1,3-thiazol-2-yl)amino]propanoic acid
CID 95507541
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
CID 60828365
2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid
CID 107424784
2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62818927
2-[propyl(1,3-thiazol-2-yl)amino]ethanol
CID 61425727

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid (CID 107424767) is 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid is CN(C)CCN(CC(=O)O)c1nccs1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is ZGSJFVRBUICMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-11(2)4-5-12(7-8(13)14)9-10-3-6-15-9/h3,6H,4-5,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 229.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 107424767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).