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

C18H22N2O3S — CID 78884785

IUPACmethyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1csc(-c2cccc(C)c2)n1)C(C)C
InChIInChI=1S/C18H22N2O3S/c1-12(2)20(10-17(22)23-4)16(21)9-15-11-24-18(19-15)14-7-5-6-13(3)8-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyIATLMNKIBAQHJP-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.07
Rot. Bonds6

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

methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate (PubChem CID 78884785) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
PubChem CID78884785
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Namemethyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1csc(-c2cccc(C)c2)n1)C(C)C
InChIInChI=1S/C18H22N2O3S/c1-12(2)20(10-17(22)23-4)16(21)9-15-11-24-18(19-15)14-7-5-6-13(3)8-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyIATLMNKIBAQHJP-UHFFFAOYSA-N
XLogP3.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78885091
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
methyl 2-[propan-2-yl-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 78878085
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-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 112831071
2-[cyclopropyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067262
methyl 6-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
CID 31840507
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091
[(E)-but-2-enyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78831556
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9309910

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate (CID 78884785) is methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)Cc1csc(-c2cccc(C)c2)n1)C(C)C.
What is the InChIKey of methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate?
The InChIKey is IATLMNKIBAQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(2)20(10-17(22)23-4)16(21)9-15-11-24-18(19-15)14-7-5-6-13(3)8-14/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate?
methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate has a molecular weight of 346.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 78884785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).