methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate

C14H16N2O2S — CID 94699550

IUPACmethyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1-c1c(C)cc(C)cc1C
InChIInChI=1S/C14H16N2O2S/c1-7-5-8(2)10(9(3)6-7)11-12(13(17)18-4)19-14(15)16-11/h5-6H,1-4H3,(H2,15,16)
InChIKeyPHBIRBMWODSLIW-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.10
Rot. Bonds2

About methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate

methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 94699550) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate
PubChem CID94699550
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1-c1c(C)cc(C)cc1C
InChIInChI=1S/C14H16N2O2S/c1-7-5-8(2)10(9(3)6-7)11-12(13(17)18-4)19-14(15)16-11/h5-6H,1-4H3,(H2,15,16)
InChIKeyPHBIRBMWODSLIW-UHFFFAOYSA-N
XLogP3.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate (CID 94699550) is methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1-c1c(C)cc(C)cc1C.
What is the InChIKey of methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is PHBIRBMWODSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-7-5-8(2)10(9(3)6-7)11-12(13(17)18-4)19-14(15)16-11/h5-6H,1-4H3,(H2,15,16).
What are the key properties of methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 94699550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).