3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid

C10H16N2O2S — CID 61193235

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid
SMILESCc1nc(C)c(C(C)NCCC(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-6(11-5-4-9(13)14)10-7(2)12-8(3)15-10/h6,11H,4-5H2,1-3H3,(H,13,14)
InChIKeyDVNFLDRATVIPFP-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.89
Rot. Bonds5

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid (PubChem CID 61193235) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid
PubChem CID61193235
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid
SMILESCc1nc(C)c(C(C)NCCC(=O)O)s1
InChIInChI=1S/C10H16N2O2S/c1-6(11-5-4-9(13)14)10-7(2)12-8(3)15-10/h6,11H,4-5H2,1-3H3,(H,13,14)
InChIKeyDVNFLDRATVIPFP-UHFFFAOYSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid (CID 61193235) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid is Cc1nc(C)c(C(C)NCCC(=O)O)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid?
The InChIKey is DVNFLDRATVIPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(11-5-4-9(13)14)10-7(2)12-8(3)15-10/h6,11H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid has a molecular weight of 228.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanoic acid is sourced from PubChem (CID 61193235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).