ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate

C14H23NO2S — CID 29006756

IUPACethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
SMILESCCCCCCc1sc(N)c(C(=O)OCC)c1C
InChIInChI=1S/C14H23NO2S/c1-4-6-7-8-9-11-10(3)12(13(15)18-11)14(16)17-5-2/h4-9,15H2,1-3H3
InChIKeyNXVJKZJYUWSQED-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.94
Rot. Bonds7

About ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate

ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate (PubChem CID 29006756) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
PubChem CID29006756
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
SMILESCCCCCCc1sc(N)c(C(=O)OCC)c1C
InChIInChI=1S/C14H23NO2S/c1-4-6-7-8-9-11-10(3)12(13(15)18-11)14(16)17-5-2/h4-9,15H2,1-3H3
InChIKeyNXVJKZJYUWSQED-UHFFFAOYSA-N
XLogP3.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-amino-5-hexyl-4-methylthiophene-3-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 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006766
methyl 2-amino-5-butyl-4-methylthiophene-3-carboxylate
CID 45097998
2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide
CID 43367155
2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide
CID 43174820
2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
CID 43367182
ethyl 2-amino-5-methyl-4-pentylthiophene-3-carboxylate
CID 68514923
(2-amino-4-methyl-5-pentylthiophen-3-yl)-phenylmethanone
CID 65355046
ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
ethyl 5-methyl-6-octyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 13121508
methyl 2-amino-5-pentyl-4-phenylthiophene-3-carboxylate
CID 71668939
ethyl 5-methyl-4-oxo-6-pentyl-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 13194302
ethyl 5-hexylthiophene-2-carboxylate
CID 142697334

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate (CID 29006756) is ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate is CCCCCCc1sc(N)c(C(=O)OCC)c1C.
What is the InChIKey of ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate?
The InChIKey is NXVJKZJYUWSQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-6-7-8-9-11-10(3)12(13(15)18-11)14(16)17-5-2/h4-9,15H2,1-3H3.
What are the key properties of ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate?
ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate has a molecular weight of 269.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 29006756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).