phenyl 4-amino-1,2-thiazole-5-carboxylate

C10H8N2O2S — CID 117218836

IUPACphenyl 4-amino-1,2-thiazole-5-carboxylate
SMILESNc1cnsc1C(=O)Oc1ccccc1
InChIInChI=1S/C10H8N2O2S/c11-8-6-12-15-9(8)10(13)14-7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyYYEQKTDLAFNOFV-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.94
Rot. Bonds2

About phenyl 4-amino-1,2-thiazole-5-carboxylate

phenyl 4-amino-1,2-thiazole-5-carboxylate (PubChem CID 117218836) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is phenyl 4-amino-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namephenyl 4-amino-1,2-thiazole-5-carboxylate
PubChem CID117218836
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Namephenyl 4-amino-1,2-thiazole-5-carboxylate
SMILESNc1cnsc1C(=O)Oc1ccccc1
InChIInChI=1S/C10H8N2O2S/c11-8-6-12-15-9(8)10(13)14-7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyYYEQKTDLAFNOFV-UHFFFAOYSA-N
XLogP1.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 4-amino-1,2-thiazole-5-carboxylate
CID 117218869
5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
CID 117218877
phenyl 3,4-diaminobenzoate
CID 22184045
phenyl 3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxylate
CID 4746608
diphenyl 5-aminobenzene-1,3-dicarboxylate
CID 67545316
phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
CID 67872823
phenyl 4-amino-3-hydroxybenzoate
CID 141431742
phenyl 3-amino-4-hydroxybenzoate
CID 154120307
phenyl 5-methylthiadiazole-4-carboxylate
CID 141237809
phenyl 2-acetyl-6-aminobenzoate
CID 58782447
phenyl 3-hydroxy-5-methylthiophene-2-carboxylate
CID 86164411
phenyl 3-amino-1,1-dioxo-1,2-thiazole-5-carboxylate
CID 117218179

Frequently Asked Questions

What is the IUPAC name of phenyl 4-amino-1,2-thiazole-5-carboxylate?
The IUPAC name of phenyl 4-amino-1,2-thiazole-5-carboxylate (CID 117218836) is phenyl 4-amino-1,2-thiazole-5-carboxylate.
What is the SMILES notation for phenyl 4-amino-1,2-thiazole-5-carboxylate?
The canonical SMILES for phenyl 4-amino-1,2-thiazole-5-carboxylate is Nc1cnsc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 4-amino-1,2-thiazole-5-carboxylate?
The InChIKey is YYEQKTDLAFNOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-8-6-12-15-9(8)10(13)14-7-4-2-1-3-5-7/h1-6H,11H2.
What are the key properties of phenyl 4-amino-1,2-thiazole-5-carboxylate?
phenyl 4-amino-1,2-thiazole-5-carboxylate has a molecular weight of 220.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-amino-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 117218836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).