methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate

C13H17N3O3S — CID 80576562

IUPACmethyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(C)c2c(C)noc2C)n1
InChIInChI=1S/C13H17N3O3S/c1-7(12-8(2)16-19-9(12)3)14-13-15-10(6-20-13)5-11(17)18-4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyDLKXHOZRRZFYRB-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80576562) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80576562
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Namemethyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(C)c2c(C)noc2C)n1
InChIInChI=1S/C13H17N3O3S/c1-7(12-8(2)16-19-9(12)3)14-13-15-10(6-20-13)5-11(17)18-4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyDLKXHOZRRZFYRB-UHFFFAOYSA-N
XLogP2.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087
methyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575155
methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575239
methyl 2-[2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43623062
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate
CID 112724647
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574724
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate (CID 80576562) is methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(C)c2c(C)noc2C)n1.
What is the InChIKey of methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DLKXHOZRRZFYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-7(12-8(2)16-19-9(12)3)14-13-15-10(6-20-13)5-11(17)18-4/h6-7H,5H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 295.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).