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

C11H10N2O3S — CID 141145829

IUPACamino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(-c2ncc(C(=O)ON)s2)cc1
InChIInChI=1S/C11H10N2O3S/c1-15-8-4-2-7(3-5-8)10-13-6-9(17-10)11(14)16-12/h2-6H,12H2,1H3
InChIKeyNFDZBAUNKBIXRP-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.85
Rot. Bonds3

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

amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 141145829) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameamino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
PubChem CID141145829
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Nameamino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(-c2ncc(C(=O)ON)s2)cc1
InChIInChI=1S/C11H10N2O3S/c1-15-8-4-2-7(3-5-8)10-13-6-9(17-10)11(14)16-12/h2-6H,12H2,1H3
InChIKeyNFDZBAUNKBIXRP-UHFFFAOYSA-N
XLogP1.85
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate (CID 141145829) is amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate is COc1ccc(-c2ncc(C(=O)ON)s2)cc1.
What is the InChIKey of amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is NFDZBAUNKBIXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-15-8-4-2-7(3-5-8)10-13-6-9(17-10)11(14)16-12/h2-6H,12H2,1H3.
What are the key properties of amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate?
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 141145829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).