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

C10H16N2O2S — CID 106036222

IUPAC3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
SMILESCc1nc(CCNC(C)CC(=O)O)cs1
InChIInChI=1S/C10H16N2O2S/c1-7(5-10(13)14)11-4-3-9-6-15-8(2)12-9/h6-7,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyGGEQQECNHFAVPA-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.45
Rot. Bonds6

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

3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid (PubChem CID 106036222) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
PubChem CID106036222
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
SMILESCc1nc(CCNC(C)CC(=O)O)cs1
InChIInChI=1S/C10H16N2O2S/c1-7(5-10(13)14)11-4-3-9-6-15-8(2)12-9/h6-7,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyGGEQQECNHFAVPA-UHFFFAOYSA-N
XLogP1.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 119347689
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 106045094
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
4-methoxy-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentan-2-amine
CID 113260118
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43360903
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
3-methoxy-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106038535
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 103776250

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid (CID 106036222) is 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid is Cc1nc(CCNC(C)CC(=O)O)cs1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid?
The InChIKey is GGEQQECNHFAVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(5-10(13)14)11-4-3-9-6-15-8(2)12-9/h6-7,11H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid?
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid is sourced from PubChem (CID 106036222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).