(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate

C10H8N2O3S — CID 117214654

IUPAC(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
SMILESNc1ncsc1C(=O)Oc1ccccc1O
InChIInChI=1S/C10H8N2O3S/c11-9-8(16-5-12-9)10(14)15-7-4-2-1-3-6(7)13/h1-5,13H,11H2
InChIKeyUYYNJWVSSDLTMB-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.65
Rot. Bonds2

About (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate

(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate (PubChem CID 117214654) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
PubChem CID117214654
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
SMILESNc1ncsc1C(=O)Oc1ccccc1O
InChIInChI=1S/C10H8N2O3S/c11-9-8(16-5-12-9)10(14)15-7-4-2-1-3-6(7)13/h1-5,13H,11H2
InChIKeyUYYNJWVSSDLTMB-UHFFFAOYSA-N
XLogP1.65
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
CID 117214683
(4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate
CID 117214674
(2-hydroxyphenyl) 5-amino-2H-triazole-4-carboxylate
CID 117213949
(2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate
CID 117213115
5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214754
(2-hydroxyphenyl) 5-amino-1,2-thiazole-4-carboxylate
CID 117213515
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
CID 173408230
CID 173408230
(5-amino-2-hydroxyphenyl) benzoate
CID 12648522
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
2-(2-hydroxyphenoxy)acetamide
CID 786426

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The IUPAC name of (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate (CID 117214654) is (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate is Nc1ncsc1C(=O)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The InChIKey is UYYNJWVSSDLTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c11-9-8(16-5-12-9)10(14)15-7-4-2-1-3-6(7)13/h1-5,13H,11H2.
What are the key properties of (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate?
(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate has a molecular weight of 236.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 117214654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).