ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate

C8H14N2O2S — CID 61498975

IUPACethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC1=NCCS1
InChIInChI=1S/C8H14N2O2S/c1-3-12-7(11)6(2)10-8-9-4-5-13-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeySLFYJBCEFIJVSO-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.63
Rot. Bonds3

About ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate

ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate (PubChem CID 61498975) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
PubChem CID61498975
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC1=NCCS1
InChIInChI=1S/C8H14N2O2S/c1-3-12-7(11)6(2)10-8-9-4-5-13-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeySLFYJBCEFIJVSO-UHFFFAOYSA-N
XLogP0.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 60810827
N-Cyano-4-ethoxycarbonyl-thiazolidin-2-imine
CID 580908
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate
CID 135829631
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine
CID 161321709
Ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 5199406
Methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 29068218
Methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 43439915
ethyl (4R)-2-(cyanoamino)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 45089512
Ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 54960238
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
CID 60810828
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 60810970
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61498976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate?
The IUPAC name of ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate (CID 61498975) is ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate is CCOC(=O)C(C)NC1=NCCS1.
What is the InChIKey of ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate?
The InChIKey is SLFYJBCEFIJVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-12-7(11)6(2)10-8-9-4-5-13-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate?
ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate has a molecular weight of 202.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate is sourced from PubChem (CID 61498975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).