methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate

C14H22N2O2S — CID 103263820

IUPACmethyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
SMILESCC/C(=C/CNC(C)c1ncc(CC)s1)C(=O)OC
InChIInChI=1S/C14H22N2O2S/c1-5-11(14(17)18-4)7-8-15-10(3)13-16-9-12(6-2)19-13/h7,9-10,15H,5-6,8H2,1-4H3/b11-7-
InChIKeySMFRUUXTVRPAAM-XFFZJAGNSA-N
MW282.41 g/mol
LogP2.87
Rot. Bonds7

About methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate

methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate (PubChem CID 103263820) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
PubChem CID103263820
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Namemethyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
SMILESCC/C(=C/CNC(C)c1ncc(CC)s1)C(=O)OC
InChIInChI=1S/C14H22N2O2S/c1-5-11(14(17)18-4)7-8-15-10(3)13-16-9-12(6-2)19-13/h7,9-10,15H,5-6,8H2,1-4H3/b11-7-
InChIKeySMFRUUXTVRPAAM-XFFZJAGNSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate (CID 103263820) is methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate is CC/C(=C/CNC(C)c1ncc(CC)s1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate?
The InChIKey is SMFRUUXTVRPAAM-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-11(14(17)18-4)7-8-15-10(3)13-16-9-12(6-2)19-13/h7,9-10,15H,5-6,8H2,1-4H3/b11-7-.
What are the key properties of methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate?
methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate has a molecular weight of 282.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate is sourced from PubChem (CID 103263820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).