ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate

C15H22N2O4S2 — CID 42903180

IUPACethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SC(C)C(=O)NCC2CCCO2)n1
InChIInChI=1S/C15H22N2O4S2/c1-3-20-13(18)7-11-9-22-15(17-11)23-10(2)14(19)16-8-12-5-4-6-21-12/h9-10,12H,3-8H2,1-2H3,(H,16,19)
InChIKeyMVDBWXPKNNALIU-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.02
Rot. Bonds8

About ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 42903180) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
PubChem CID42903180
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Nameethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SC(C)C(=O)NCC2CCCO2)n1
InChIInChI=1S/C15H22N2O4S2/c1-3-20-13(18)7-11-9-22-15(17-11)23-10(2)14(19)16-8-12-5-4-6-21-12/h9-10,12H,3-8H2,1-2H3,(H,16,19)
InChIKeyMVDBWXPKNNALIU-UHFFFAOYSA-N
XLogP2.02
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8545965
ethyl 2-[2-[1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 46824865
ethyl 2-[2-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 7455226
ethyl 2-[2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 3964013
ethyl 2-[2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8605844
N-(oxolan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 18078012
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 18077758
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 18201879
ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575254
ethyl 2-[2-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 7455208
ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 7455217
ethyl 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8546300

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 42903180) is ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SC(C)C(=O)NCC2CCCO2)n1.
What is the InChIKey of ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
The InChIKey is MVDBWXPKNNALIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-3-20-13(18)7-11-9-22-15(17-11)23-10(2)14(19)16-8-12-5-4-6-21-12/h9-10,12H,3-8H2,1-2H3,(H,16,19).
What are the key properties of ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 358.49 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 42903180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).