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

C11H10N2O2S — CID 117214674

IUPAC(4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate
SMILESCc1ccc(OC(=O)c2scnc2N)cc1
InChIInChI=1S/C11H10N2O2S/c1-7-2-4-8(5-3-7)15-11(14)9-10(12)13-6-16-9/h2-6H,12H2,1H3
InChIKeyGMODHXMUSJCCIT-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.25
Rot. Bonds2

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

(4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate (PubChem CID 117214674) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate
PubChem CID117214674
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate
SMILESCc1ccc(OC(=O)c2scnc2N)cc1
InChIInChI=1S/C11H10N2O2S/c1-7-2-4-8(5-3-7)15-11(14)9-10(12)13-6-16-9/h2-6H,12H2,1H3
InChIKeyGMODHXMUSJCCIT-UHFFFAOYSA-N
XLogP2.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.25
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-1,3-thiazole-5-carboxylate
CID 117214683
(2-hydroxyphenyl) 4-amino-1,3-thiazole-5-carboxylate
CID 117214654
(4-methylphenyl) 3-bromothiophene-2-carboxylate
CID 78885789
(4-methylphenyl) 2-aminothiophene-3-carboxylate
CID 117213533
(4-methylphenyl) 5-aminopyrazine-2-carboxylate
CID 117213160
[4-(cyanomethyl)phenyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 71869460
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
5-(4-chlorophenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214774
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
(4-methylphenyl) 2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 23542854

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The IUPAC name of (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate (CID 117214674) is (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The canonical SMILES for (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate is Cc1ccc(OC(=O)c2scnc2N)cc1.
What is the InChIKey of (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate?
The InChIKey is GMODHXMUSJCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-2-4-8(5-3-7)15-11(14)9-10(12)13-6-16-9/h2-6H,12H2,1H3.
What are the key properties of (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate?
(4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-amino-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 117214674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).