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

C15H16N2O3S2 — CID 86617849

IUPACmethyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(/C=C\c2csc(C(=O)N(C)C)n2)s1
InChIInChI=1S/C15H16N2O3S2/c1-17(2)15(19)14-16-10(9-21-14)4-5-11-6-7-12(22-11)8-13(18)20-3/h4-7,9H,8H2,1-3H3/b5-4-
InChIKeyNHRHDJPOTFEPLV-PLNGDYQASA-N
MW336.44 g/mol
LogP2.79
Rot. Bonds5

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

methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate (PubChem CID 86617849) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate
PubChem CID86617849
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Namemethyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(/C=C\c2csc(C(=O)N(C)C)n2)s1
InChIInChI=1S/C15H16N2O3S2/c1-17(2)15(19)14-16-10(9-21-14)4-5-11-6-7-12(22-11)8-13(18)20-3/h4-7,9H,8H2,1-3H3/b5-4-
InChIKeyNHRHDJPOTFEPLV-PLNGDYQASA-N
XLogP2.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate (CID 86617849) is methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(/C=C\c2csc(C(=O)N(C)C)n2)s1.
What is the InChIKey of methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate?
The InChIKey is NHRHDJPOTFEPLV-PLNGDYQASA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-17(2)15(19)14-16-10(9-21-14)4-5-11-6-7-12(22-11)8-13(18)20-3/h4-7,9H,8H2,1-3H3/b5-4-.
What are the key properties of methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate?
methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate has a molecular weight of 336.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(Z)-2-[2-(dimethylcarbamoyl)-1,3-thiazol-4-yl]ethenyl]thiophen-2-yl]acetate is sourced from PubChem (CID 86617849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).