methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate

C15H18N2O3S2 — CID 86617847

IUPACmethyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CCc2csc(C(=O)N(C)C)n2)s1
InChIInChI=1S/C15H18N2O3S2/c1-17(2)15(19)14-16-10(9-21-14)4-5-11-6-7-12(22-11)8-13(18)20-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyXGEJRYJFZWFVGM-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.41
Rot. Bonds6

About methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate

methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate (PubChem CID 86617847) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate
PubChem CID86617847
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Namemethyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CCc2csc(C(=O)N(C)C)n2)s1
InChIInChI=1S/C15H18N2O3S2/c1-17(2)15(19)14-16-10(9-21-14)4-5-11-6-7-12(22-11)8-13(18)20-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyXGEJRYJFZWFVGM-UHFFFAOYSA-N
XLogP2.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate
CID 148550465
methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate
CID 86617849
methyl 3-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propanoate
CID 86617829
methyl 2-(5-but-3-enylthiophen-2-yl)acetate
CID 58973629
methyl 2-[5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophen-2-yl]acetate
CID 82894708
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82895032
methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 83117388
2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate
CID 87791564
methyl 2-[5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 82893938
methyl 2-[5-[(1,3-thiazol-5-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 104588985
2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58112072

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate (CID 86617847) is methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CCc2csc(C(=O)N(C)C)n2)s1.
What is the InChIKey of methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate?
The InChIKey is XGEJRYJFZWFVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-17(2)15(19)14-16-10(9-21-14)4-5-11-6-7-12(22-11)8-13(18)20-3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate?
methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate has a molecular weight of 338.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate is sourced from PubChem (CID 86617847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).