ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate

C11H18N2O2S — CID 63296253

IUPACethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1=NCC(C2CC2)S1
InChIInChI=1S/C11H18N2O2S/c1-3-15-10(14)7(2)13-11-12-6-9(16-11)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyXRCSRWJRTJIHMT-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.41
Rot. Bonds4

About ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate

ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 63296253) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
PubChem CID63296253
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1=NCC(C2CC2)S1
InChIInChI=1S/C11H18N2O2S/c1-3-15-10(14)7(2)13-11-12-6-9(16-11)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyXRCSRWJRTJIHMT-UHFFFAOYSA-N
XLogP1.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (CID 63296253) is ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is CCOC(=O)C(C)NC1=NCC(C2CC2)S1.
What is the InChIKey of ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is XRCSRWJRTJIHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-15-10(14)7(2)13-11-12-6-9(16-11)8-4-5-8/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 242.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 63296253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).