3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine

C8H15N3O2S — CID 144584795

IUPAC3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine
SMILESCN.NCc1cnc(CCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S.CH5N/c8-3-5-4-9-6(12-5)1-2-7(10)11;1-2/h4H,1-3,8H2,(H,10,11);2H2,1H3
InChIKeyPLBPIMQMJMFQTJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.19
Rot. Bonds4

About 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine

3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine (PubChem CID 144584795) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine
PubChem CID144584795
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine
SMILESCN.NCc1cnc(CCC(=O)O)s1
InChIInChI=1S/C7H10N2O2S.CH5N/c8-3-5-4-9-6(12-5)1-2-7(10)11;1-2/h4H,1-3,8H2,(H,10,11);2H2,1H3
InChIKeyPLBPIMQMJMFQTJ-UHFFFAOYSA-N
XLogP0.19
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine?
The IUPAC name of 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine (CID 144584795) is 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine.
What is the SMILES notation for 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine?
The canonical SMILES for 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine is CN.NCc1cnc(CCC(=O)O)s1.
What is the InChIKey of 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine?
The InChIKey is PLBPIMQMJMFQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.CH5N/c8-3-5-4-9-6(12-5)1-2-7(10)11;1-2/h4H,1-3,8H2,(H,10,11);2H2,1H3.
What are the key properties of 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine?
3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine has a molecular weight of 217.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1,3-thiazol-2-yl]propanoic acid;methanamine is sourced from PubChem (CID 144584795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).