2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

C11H8NO2S- — CID 6933854

IUPAC2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)[O-])cs2)cc1
InChIInChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)/p-1
InChIKeyMTVWIZYQYPRZGZ-UHFFFAOYSA-M
MW218.26 g/mol
LogP1.48
Rot. Bonds2

About 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

2-(4-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 6933854) has the molecular formula C11H8NO2S- and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID6933854
Molecular FormulaC11H8NO2S-
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)[O-])cs2)cc1
InChIInChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)/p-1
InChIKeyMTVWIZYQYPRZGZ-UHFFFAOYSA-M
XLogP1.48
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate (CID 6933854) is 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate is Cc1ccc(-c2nc(C(=O)[O-])cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is MTVWIZYQYPRZGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)/p-1.
What are the key properties of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
2-(4-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 6933854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).