2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid

C10H16N2O2S — CID 61012423

IUPAC2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
SMILESCCc1nc(CN(CC)CC(=O)O)cs1
InChIInChI=1S/C10H16N2O2S/c1-3-9-11-8(7-15-9)5-12(4-2)6-10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyAXONZWFOIWLNEH-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.61
Rot. Bonds6

About 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid

2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid (PubChem CID 61012423) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
PubChem CID61012423
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
SMILESCCc1nc(CN(CC)CC(=O)O)cs1
InChIInChI=1S/C10H16N2O2S/c1-3-9-11-8(7-15-9)5-12(4-2)6-10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyAXONZWFOIWLNEH-UHFFFAOYSA-N
XLogP1.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 134039427
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
2-[prop-2-enyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 79275716
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid
CID 54257408
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 54900295
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986992
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 62013509
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276363
2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 18759069

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid (CID 61012423) is 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid is CCc1nc(CN(CC)CC(=O)O)cs1.
What is the InChIKey of 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
The InChIKey is AXONZWFOIWLNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-9-11-8(7-15-9)5-12(4-2)6-10(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid?
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid has a molecular weight of 228.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 61012423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).