3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid

C10H9N3O2S2 — CID 68942872

IUPAC3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid
SMILESO=C(O)C(Cc1nccs1)/N=C/c1nccs1
InChIInChI=1S/C10H9N3O2S2/c14-10(15)7(5-8-11-1-3-16-8)13-6-9-12-2-4-17-9/h1-4,6-7H,5H2,(H,14,15)/b13-6+
InChIKeySQAJWMWJQMZVIC-AWNIVKPZSA-N
MW267.33 g/mol
LogP1.71
Rot. Bonds5

About 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid

3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid (PubChem CID 68942872) has the molecular formula C10H9N3O2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid
PubChem CID68942872
Molecular FormulaC10H9N3O2S2
Molecular Weight267.33 g/mol
Exact Mass267.01
IUPAC Name3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid
SMILESO=C(O)C(Cc1nccs1)/N=C/c1nccs1
InChIInChI=1S/C10H9N3O2S2/c14-10(15)7(5-8-11-1-3-16-8)13-6-9-12-2-4-17-9/h1-4,6-7H,5H2,(H,14,15)/b13-6+
InChIKeySQAJWMWJQMZVIC-AWNIVKPZSA-N
XLogP1.71
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid (CID 68942872) is 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid is O=C(O)C(Cc1nccs1)/N=C/c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid?
The InChIKey is SQAJWMWJQMZVIC-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H9N3O2S2/c14-10(15)7(5-8-11-1-3-16-8)13-6-9-12-2-4-17-9/h1-4,6-7H,5H2,(H,14,15)/b13-6+.
What are the key properties of 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid?
3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid is sourced from PubChem (CID 68942872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).