methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate

C15H16N2O3S — CID 43423110

IUPACmethyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)Cc1csc(C)n1
InChIInChI=1S/C15H16N2O3S/c1-10-16-11(9-21-10)8-14(18)17(2)13-7-5-4-6-12(13)15(19)20-3/h4-7,9H,8H2,1-3H3
InChIKeyYXJPKFBWOBCBFI-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.44
Rot. Bonds4

About methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate

methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate (PubChem CID 43423110) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
PubChem CID43423110
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)Cc1csc(C)n1
InChIInChI=1S/C15H16N2O3S/c1-10-16-11(9-21-10)8-14(18)17(2)13-7-5-4-6-12(13)15(19)20-3/h4-7,9H,8H2,1-3H3
InChIKeyYXJPKFBWOBCBFI-UHFFFAOYSA-N
XLogP2.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
1-(2-amino-3-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107469186
2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide
CID 55119506
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
methyl 2-[3-acetamidopropanoyl(methyl)amino]benzoate
CID 43423098
N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47074146
2-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]benzoic acid
CID 104548760
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate (CID 43423110) is methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)Cc1csc(C)n1.
What is the InChIKey of methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The InChIKey is YXJPKFBWOBCBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-16-11(9-21-10)8-14(18)17(2)13-7-5-4-6-12(13)15(19)20-3/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate has a molecular weight of 304.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 43423110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).