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

C9H14N2O2S — CID 43774871

IUPAC3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid
SMILESCc1ncsc1C(C)NCCC(=O)O
InChIInChI=1S/C9H14N2O2S/c1-6(10-4-3-8(12)13)9-7(2)11-5-14-9/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyRXEYVRIEWRASNP-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.58
Rot. Bonds5

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

3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid (PubChem CID 43774871) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid
PubChem CID43774871
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid
SMILESCc1ncsc1C(C)NCCC(=O)O
InChIInChI=1S/C9H14N2O2S/c1-6(10-4-3-8(12)13)9-7(2)11-5-14-9/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyRXEYVRIEWRASNP-UHFFFAOYSA-N
XLogP1.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid?
The IUPAC name of 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid (CID 43774871) is 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid is Cc1ncsc1C(C)NCCC(=O)O.
What is the InChIKey of 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid?
The InChIKey is RXEYVRIEWRASNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(10-4-3-8(12)13)9-7(2)11-5-14-9/h5-6,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid?
3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoic acid is sourced from PubChem (CID 43774871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).