2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid

C13H14N2O2S — CID 82302695

IUPAC2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid
SMILESCN(C)c1ccc(-c2ncc(CC(=O)O)s2)cc1
InChIInChI=1S/C13H14N2O2S/c1-15(2)10-5-3-9(4-6-10)13-14-8-11(18-13)7-12(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyGVOSLKPECVAFDQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.50
Rot. Bonds4

About 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid

2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82302695) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID82302695
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid
SMILESCN(C)c1ccc(-c2ncc(CC(=O)O)s2)cc1
InChIInChI=1S/C13H14N2O2S/c1-15(2)10-5-3-9(4-6-10)13-14-8-11(18-13)7-12(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyGVOSLKPECVAFDQ-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid (CID 82302695) is 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid is CN(C)c1ccc(-c2ncc(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is GVOSLKPECVAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(2)10-5-3-9(4-6-10)13-14-8-11(18-13)7-12(16)17/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid?
2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 262.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82302695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).