methyl 2-phenyl-1,3-thiazole-4-carboxylate

C11H9NO2S — CID 11183586

IUPACmethyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C11H9NO2S/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyVGWOUTBYGICCLO-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.60
Rot. Bonds2

About methyl 2-phenyl-1,3-thiazole-4-carboxylate

methyl 2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 11183586) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is methyl 2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID11183586
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Namemethyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C11H9NO2S/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyVGWOUTBYGICCLO-UHFFFAOYSA-N
XLogP2.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(4-Chloro-phenyl)-thiazole-4-carboxylic acid
CID 673682
2-Phenyl-4-carboxythiazole
CID 138928
Ethyl 2-(4-nitrophenyl)thiazole-4-carboxylate
CID 3742475
2-(3-chlorophenyl)-1,3-thiazole-4-carboxylic Acid
CID 2794667
2-Benzyl-1,3-thiazole-4-carboxylic acid
CID 1491570
1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one
CID 604819
2-(4-Fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 4962882
Anithiactin A
CID 71081197
4-Phenylthiazole-2-carboxylic acid
CID 3878539
2-(2-Chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 21085385
2-Phenyl-1,3-thiazole-4-carbaldehyde
CID 736524

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-phenyl-1,3-thiazole-4-carboxylate (CID 11183586) is methyl 2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-phenyl-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is VGWOUTBYGICCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of methyl 2-phenyl-1,3-thiazole-4-carboxylate?
methyl 2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 219.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 11183586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).