methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate

C14H18N2O2S2 — CID 43787012

IUPACmethyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(C)c1scnc1C)c1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-9-14(20-8-15-9)10(2)16-11(7-13(17)18-3)12-5-4-6-19-12/h4-6,8,10-11,16H,7H2,1-3H3
InChIKeyBGZJSXHUPOPIIZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.47
Rot. Bonds6

About methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate

methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate (PubChem CID 43787012) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate
PubChem CID43787012
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Namemethyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(C)c1scnc1C)c1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-9-14(20-8-15-9)10(2)16-11(7-13(17)18-3)12-5-4-6-19-12/h4-6,8,10-11,16H,7H2,1-3H3
InChIKeyBGZJSXHUPOPIIZ-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate 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 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate (CID 43787012) is methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(C)c1scnc1C)c1cccs1.
What is the InChIKey of methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is BGZJSXHUPOPIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9-14(20-8-15-9)10(2)16-11(7-13(17)18-3)12-5-4-6-19-12/h4-6,8,10-11,16H,7H2,1-3H3.
What are the key properties of methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate?
methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 310.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 43787012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).