methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate

C13H16N2O2S2 — CID 80576618

IUPACmethyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)CCc2cccs2)n1
InChIInChI=1S/C13H16N2O2S2/c1-15(6-5-11-4-3-7-18-11)13-14-10(9-19-13)8-12(16)17-2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyUZOHLMRKYNKPNH-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.60
Rot. Bonds6

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

methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80576618) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80576618
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Namemethyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N(C)CCc2cccs2)n1
InChIInChI=1S/C13H16N2O2S2/c1-15(6-5-11-4-3-7-18-11)13-14-10(9-19-13)8-12(16)17-2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyUZOHLMRKYNKPNH-UHFFFAOYSA-N
XLogP2.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
N-methyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494518
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494680
methyl 3-[2-[methyl(2-phenylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040420
methyl 2-[2-[2,2-dimethylpropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575881
methyl 3-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040201
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
methyl 3-[2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040512
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate (CID 80576618) is methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N(C)CCc2cccs2)n1.
What is the InChIKey of methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is UZOHLMRKYNKPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-15(6-5-11-4-3-7-18-11)13-14-10(9-19-13)8-12(16)17-2/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 296.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).