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

C10H18N2O2S — CID 61498977

IUPACethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1=NC(CC)CS1
InChIInChI=1S/C10H18N2O2S/c1-4-8-6-15-10(12-8)11-7(3)9(13)14-5-2/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyQLWVEIFOZKJIOV-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.41
Rot. Bonds4

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

ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 61498977) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
PubChem CID61498977
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Nameethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1=NC(CC)CS1
InChIInChI=1S/C10H18N2O2S/c1-4-8-6-15-10(12-8)11-7(3)9(13)14-5-2/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyQLWVEIFOZKJIOV-UHFFFAOYSA-N
XLogP1.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.41
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-[(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-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61498975
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-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (CID 61498977) is ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is CCOC(=O)C(C)NC1=NC(CC)CS1.
What is the InChIKey of ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is QLWVEIFOZKJIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-8-6-15-10(12-8)11-7(3)9(13)14-5-2/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 230.33 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-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 61498977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).