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

C15H16N2O3S — CID 71971159

IUPACmethyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C15H16N2O3S/c1-9-13(21-10(2)17-9)14(18)16-8-11-5-4-6-12(7-11)15(19)20-3/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyMWBYKWWZLLEQKN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.48
Rot. Bonds4

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

methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate (PubChem CID 71971159) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate
PubChem CID71971159
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C15H16N2O3S/c1-9-13(21-10(2)17-9)14(18)16-8-11-5-4-6-12(7-11)15(19)20-3/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyMWBYKWWZLLEQKN-UHFFFAOYSA-N
XLogP2.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91766936
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 154795566
methyl 3-(acetamidomethyl)benzoate
CID 20717921
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46424700
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078
methyl 3-[[(2-bromoacetyl)amino]methyl]benzoate
CID 58009722
4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 32915631
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate (CID 71971159) is methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate is COC(=O)c1cccc(CNC(=O)c2sc(C)nc2C)c1.
What is the InChIKey of methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate?
The InChIKey is MWBYKWWZLLEQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-13(21-10(2)17-9)14(18)16-8-11-5-4-6-12(7-11)15(19)20-3/h4-7H,8H2,1-3H3,(H,16,18).
What are the key properties of methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate?
methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate has a molecular weight of 304.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 71971159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).