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

C14H16N2O3S2 — CID 148550465

IUPACmethyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate
SMILESCNC(=O)c1nc(CCc2ccc(CC(=O)OC)s2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-15-13(18)14-16-9(8-20-14)3-4-10-5-6-11(21-10)7-12(17)19-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyWFOHWFWCHGZKKT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.06
Rot. Bonds6

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

methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate (PubChem CID 148550465) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate
PubChem CID148550465
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Namemethyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate
SMILESCNC(=O)c1nc(CCc2ccc(CC(=O)OC)s2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-15-13(18)14-16-9(8-20-14)3-4-10-5-6-11(21-10)7-12(17)19-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyWFOHWFWCHGZKKT-UHFFFAOYSA-N
XLogP2.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[5-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate
CID 86617847
4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide
CID 69228277
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-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate
CID 86617849
methyl 2-[5-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82895032
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
methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 102673112
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophen-2-yl]acetate
CID 82894708

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate (CID 148550465) is methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate is CNC(=O)c1nc(CCc2ccc(CC(=O)OC)s2)cs1.
What is the InChIKey of methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate?
The InChIKey is WFOHWFWCHGZKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-15-13(18)14-16-9(8-20-14)3-4-10-5-6-11(21-10)7-12(17)19-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate?
methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate has a molecular weight of 324.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-[2-(methylcarbamoyl)-1,3-thiazol-4-yl]ethyl]thiophen-2-yl]acetate is sourced from PubChem (CID 148550465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).