2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate

C21H31N3O7S — CID 147516456

IUPAC2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
SMILESCOCCOCCOC(=O)NC(C(=O)CC1CCc2ncsc2CNC(=O)C1=O)C(C)C
InChIInChI=1S/C21H31N3O7S/c1-13(2)18(24-21(28)31-9-8-30-7-6-29-3)16(25)10-14-4-5-15-17(32-12-23-15)11-22-20(27)19(14)26/h12-14,18H,4-11H2,1-3H3,(H,22,27)(H,24,28)
InChIKeyFKIBEDFEQLLEQE-UHFFFAOYSA-N
MW469.56 g/mol
LogP1.26
Rot. Bonds11

About 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate

2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate (PubChem CID 147516456) has the molecular formula C21H31N3O7S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
PubChem CID147516456
Molecular FormulaC21H31N3O7S
Molecular Weight469.56 g/mol
Exact Mass469.19
IUPAC Name2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
SMILESCOCCOCCOC(=O)NC(C(=O)CC1CCc2ncsc2CNC(=O)C1=O)C(C)C
InChIInChI=1S/C21H31N3O7S/c1-13(2)18(24-21(28)31-9-8-30-7-6-29-3)16(25)10-14-4-5-15-17(32-12-23-15)11-22-20(27)19(14)26/h12-14,18H,4-11H2,1-3H3,(H,22,27)(H,24,28)
InChIKeyFKIBEDFEQLLEQE-UHFFFAOYSA-N
XLogP1.26
TPSA132.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate (CID 147516456) is 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate is COCCOCCOC(=O)NC(C(=O)CC1CCc2ncsc2CNC(=O)C1=O)C(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate?
The InChIKey is FKIBEDFEQLLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O7S/c1-13(2)18(24-21(28)31-9-8-30-7-6-29-3)16(25)10-14-4-5-15-17(32-12-23-15)11-22-20(27)19(14)26/h12-14,18H,4-11H2,1-3H3,(H,22,27)(H,24,28).
What are the key properties of 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate?
2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate has a molecular weight of 469.56 g/mol, XLogP of 1.26, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate is sourced from PubChem (CID 147516456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).