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

C16H18N2O3S — CID 119040994

IUPACmethyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H18N2O3S/c1-11-5-4-6-12(7-11)16-17-13(10-22-16)8-14(19)18(2)9-15(20)21-3/h4-7,10H,8-9H2,1-3H3
InChIKeyBOQOLYLYTSZIGR-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.29
Rot. Bonds5

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

methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate (PubChem CID 119040994) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
PubChem CID119040994
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Namemethyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H18N2O3S/c1-11-5-4-6-12(7-11)16-17-13(10-22-16)8-14(19)18(2)9-15(20)21-3/h4-7,10H,8-9H2,1-3H3
InChIKeyBOQOLYLYTSZIGR-UHFFFAOYSA-N
XLogP2.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78884785
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091
methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580499
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78885091
methyl 6-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
CID 31840507
[(E)-but-2-enyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78831556
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
methyl 3-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 18089786
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24647124
N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119554455

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate (CID 119040994) is methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate is COC(=O)CN(C)C(=O)Cc1csc(-c2cccc(C)c2)n1.
What is the InChIKey of methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The InChIKey is BOQOLYLYTSZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-5-4-6-12(7-11)16-17-13(10-22-16)8-14(19)18(2)9-15(20)21-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate has a molecular weight of 318.40 g/mol, XLogP of 2.29, 5 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-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate is sourced from PubChem (CID 119040994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).