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

C8H12N2O2S — CID 82103146

IUPAC2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
SMILESCc1csc(CCNCC(=O)O)n1
InChIInChI=1S/C8H12N2O2S/c1-6-5-13-7(10-6)2-3-9-4-8(11)12/h5,9H,2-4H2,1H3,(H,11,12)
InChIKeyWBVKQGRRRZGEPJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.67
Rot. Bonds5

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

2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid (PubChem CID 82103146) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
PubChem CID82103146
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
SMILESCc1csc(CCNCC(=O)O)n1
InChIInChI=1S/C8H12N2O2S/c1-6-5-13-7(10-6)2-3-9-4-8(11)12/h5,9H,2-4H2,1H3,(H,11,12)
InChIKeyWBVKQGRRRZGEPJ-UHFFFAOYSA-N
XLogP0.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
CID 82103135
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63240888
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240803
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
3,3-dimethyl-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butane-1,2-diamine
CID 112555997
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
CID 131842856
CID 131842856
2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240581
4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390988

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid (CID 82103146) is 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid is Cc1csc(CCNCC(=O)O)n1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid?
The InChIKey is WBVKQGRRRZGEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-5-13-7(10-6)2-3-9-4-8(11)12/h5,9H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid?
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid has a molecular weight of 200.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid is sourced from PubChem (CID 82103146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).