ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate

C14H21N3O4S2 — CID 91336985

IUPACethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SN(CC2CNCCO2)C(C)=O)n1
InChIInChI=1S/C14H21N3O4S2/c1-3-20-13(19)6-11-9-22-14(16-11)23-17(10(2)18)8-12-7-15-4-5-21-12/h9,12,15H,3-8H2,1-2H3
InChIKeyQBCGEGMHNKXLGA-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.09
Rot. Bonds7

About ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 91336985) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate
PubChem CID91336985
Molecular FormulaC14H21N3O4S2
Molecular Weight359.47 g/mol
Exact Mass359.10
IUPAC Nameethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SN(CC2CNCCO2)C(C)=O)n1
InChIInChI=1S/C14H21N3O4S2/c1-3-20-13(19)6-11-9-22-14(16-11)23-17(10(2)18)8-12-7-15-4-5-21-12/h9,12,15H,3-8H2,1-2H3
InChIKeyQBCGEGMHNKXLGA-UHFFFAOYSA-N
XLogP1.09
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119672756
ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575254
ethyl 2-[2-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 42903180
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355
ethyl 2-[2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 4817386
ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 82745640
ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
ethyl 2-[2-[1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 46824865
ethyl 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8581463
ethyl 2-[2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2480088
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-(2-methyloxolan-2-yl)-1,3-thiazol-4-yl]acetate
CID 80574312

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate (CID 91336985) is ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SN(CC2CNCCO2)C(C)=O)n1.
What is the InChIKey of ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate?
The InChIKey is QBCGEGMHNKXLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2/c1-3-20-13(19)6-11-9-22-14(16-11)23-17(10(2)18)8-12-7-15-4-5-21-12/h9,12,15H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 359.47 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[acetyl(morpholin-2-ylmethyl)amino]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 91336985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).