methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate

C14H14N2O3S — CID 110861554

IUPACmethyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc(C)sc1C
InChIInChI=1S/C14H14N2O3S/c1-8-12(15-9(2)20-8)13(17)16-11-7-5-4-6-10(11)14(18)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyYIIUSQSQVCETLP-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.80
Rot. Bonds3

About methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate

methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate (PubChem CID 110861554) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
PubChem CID110861554
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc(C)sc1C
InChIInChI=1S/C14H14N2O3S/c1-8-12(15-9(2)20-8)13(17)16-11-7-5-4-6-10(11)14(18)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyYIIUSQSQVCETLP-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110650599
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110858372
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 110861575
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602
methyl 2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]benzoate
CID 110861617
methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
methyl 2-[[4-(dimethylsulfamoyl)-5-methylthiophene-2-carbonyl]amino]benzoate
CID 6502716
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate (CID 110861554) is methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nc(C)sc1C.
What is the InChIKey of methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The InChIKey is YIIUSQSQVCETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-12(15-9(2)20-8)13(17)16-11-7-5-4-6-10(11)14(18)19-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate?
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate has a molecular weight of 290.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 110861554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).