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

C11H10N2O3S — CID 117214683

IUPAC(4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(OC(=O)c2scnc2N)cc1
InChIInChI=1S/C11H10N2O3S/c1-15-7-2-4-8(5-3-7)16-11(14)9-10(12)13-6-17-9/h2-6H,12H2,1H3
InChIKeyMEXGXMRZPCJUQV-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.95
Rot. Bonds3

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

(4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate (PubChem CID 117214683) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
PubChem CID117214683
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name(4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(OC(=O)c2scnc2N)cc1
InChIInChI=1S/C11H10N2O3S/c1-15-7-2-4-8(5-3-7)16-11(14)9-10(12)13-6-17-9/h2-6H,12H2,1H3
InChIKeyMEXGXMRZPCJUQV-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate
CID 117214674
(4-methoxyphenyl) 4-amino-1,2-thiazole-5-carboxylate
CID 117218869
(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
CID 117214654
(4-methoxyphenyl) 3,5-diaminobenzoate
CID 12995562
5-(4-chlorophenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214774
[4-(cyanomethyl)phenyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 71869460
(4-methoxyphenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
CID 117213447
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 89106310
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214754

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The IUPAC name of (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate (CID 117214683) is (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate is COc1ccc(OC(=O)c2scnc2N)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The InChIKey is MEXGXMRZPCJUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-15-7-2-4-8(5-3-7)16-11(14)9-10(12)13-6-17-9/h2-6H,12H2,1H3.
What are the key properties of (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate?
(4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-amino-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 117214683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).