ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate

C16H15ClN2O2S — CID 102338985

IUPACethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccc(Cl)c3)n(C)c2c1C
InChIInChI=1S/C16H15ClN2O2S/c1-4-21-16(20)13-9(2)12-15(22-13)18-14(19(12)3)10-6-5-7-11(17)8-10/h5-8H,4H2,1-3H3
InChIKeyZTDRARACGWOCAH-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.44
Rot. Bonds3

About ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate

ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate (PubChem CID 102338985) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate
PubChem CID102338985
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Nameethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccc(Cl)c3)n(C)c2c1C
InChIInChI=1S/C16H15ClN2O2S/c1-4-21-16(20)13-9(2)12-15(22-13)18-14(19(12)3)10-6-5-7-11(17)8-10/h5-8H,4H2,1-3H3
InChIKeyZTDRARACGWOCAH-UHFFFAOYSA-N
XLogP4.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
diethyl 5-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19728371
diethyl 5-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 22427447
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398785
ethyl 2-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 11232887
ethyl 2-(3-chlorophenyl)-5-hydroxy-4-methylthieno[3,2-b]pyrrole-6-carboxylate
CID 135481181
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
ethyl 3-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 42885121
ethyl 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 15988641

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate (CID 102338985) is ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate is CCOC(=O)c1sc2nc(-c3cccc(Cl)c3)n(C)c2c1C.
What is the InChIKey of ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate?
The InChIKey is ZTDRARACGWOCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-4-21-16(20)13-9(2)12-15(22-13)18-14(19(12)3)10-6-5-7-11(17)8-10/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate?
ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate has a molecular weight of 334.83 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenyl)-1,6-dimethylthieno[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 102338985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).