methyl 5-(dimethylamino)thiophene-2-carboxylate

C8H11NO2S — CID 10773874

IUPACmethyl 5-(dimethylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N(C)C)s1
InChIInChI=1S/C8H11NO2S/c1-9(2)7-5-4-6(12-7)8(10)11-3/h4-5H,1-3H3
InChIKeyHULXICSWPIHJRX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.60
Rot. Bonds2

About methyl 5-(dimethylamino)thiophene-2-carboxylate

methyl 5-(dimethylamino)thiophene-2-carboxylate (PubChem CID 10773874) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl 5-(dimethylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(dimethylamino)thiophene-2-carboxylate
PubChem CID10773874
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl 5-(dimethylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(N(C)C)s1
InChIInChI=1S/C8H11NO2S/c1-9(2)7-5-4-6(12-7)8(10)11-3/h4-5H,1-3H3
InChIKeyHULXICSWPIHJRX-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-(dimethylamino)thiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 83880201
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate
CID 158503805
methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate
CID 75417382
methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate
CID 67087275
methyl 5-(2,2-dibromoacetyl)thiophene-2-carboxylate
CID 57362687
CID 67009336
CID 67009336
methyl 5-(diethylaminomethyl)thiophene-2-carboxylate
CID 71563456
methyl 5-propylthiophene-2-carboxylate
CID 14933665
methyl 5-(2-hydroxyethyl)thiophene-2-carboxylate
CID 10845237
methyl 5-[[butyl(methyl)amino]methyl]thiophene-2-carboxylate
CID 21086213

Frequently Asked Questions

What is the IUPAC name of methyl 5-(dimethylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(dimethylamino)thiophene-2-carboxylate (CID 10773874) is methyl 5-(dimethylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(dimethylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(dimethylamino)thiophene-2-carboxylate is COC(=O)c1ccc(N(C)C)s1.
What is the InChIKey of methyl 5-(dimethylamino)thiophene-2-carboxylate?
The InChIKey is HULXICSWPIHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-9(2)7-5-4-6(12-7)8(10)11-3/h4-5H,1-3H3.
What are the key properties of methyl 5-(dimethylamino)thiophene-2-carboxylate?
methyl 5-(dimethylamino)thiophene-2-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylamino)thiophene-2-carboxylate is sourced from PubChem (CID 10773874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).