methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

C12H11NO2S — CID 15832490

IUPACmethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C12H11NO2S/c1-8-10(12(14)15-2)16-11(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyVHJZCEJBOOOTIS-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.91
Rot. Bonds2

About methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 15832490) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID15832490
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namemethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C12H11NO2S/c1-8-10(12(14)15-2)16-11(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyVHJZCEJBOOOTIS-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 540397
Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
Ethyl 4-methyl-2-(thiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 2744028
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
Ethyl 5-acetyl-2-phenylthiazole-4-carboxylate
CID 2745356
Methyl 4-(dibromomethyl)-2-(4-chlorophenyl)thiazole-5-carboxylate
CID 24951029
4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid
CID 2775663
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 15832490) is methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is VHJZCEJBOOOTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-10(12(14)15-2)16-11(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 233.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 15832490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).