methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate

C14H16N2O2S — CID 113306884

IUPACmethyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)c2ccccc2C)sc1C
InChIInChI=1S/C14H16N2O2S/c1-9-7-5-6-8-11(9)16(3)14-15-12(10(2)19-14)13(17)18-4/h5-8H,1-4H3
InChIKeyCNFWJARWBVEKFR-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.31
Rot. Bonds3

About methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 113306884) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID113306884
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)c2ccccc2C)sc1C
InChIInChI=1S/C14H16N2O2S/c1-9-7-5-6-8-11(9)16(3)14-15-12(10(2)19-14)13(17)18-4/h5-8H,1-4H3
InChIKeyCNFWJARWBVEKFR-UHFFFAOYSA-N
XLogP3.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate (CID 113306884) is methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(C)c2ccccc2C)sc1C.
What is the InChIKey of methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is CNFWJARWBVEKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-7-5-6-8-11(9)16(3)14-15-12(10(2)19-14)13(17)18-4/h5-8H,1-4H3.
What are the key properties of methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).