ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate

C17H27N5O5S — CID 55644563

IUPACethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(C)C
InChIInChI=1S/C17H27N5O5S/c1-5-27-17(25)19-12(10(2)3)14(23)20-21-15(24)13-11(4)18-16(28-13)22-6-8-26-9-7-22/h10,12H,5-9H2,1-4H3,(H,19,25)(H,20,23)(H,21,24)
InChIKeyUWTPYBVBQYBEMB-UHFFFAOYSA-N
MW413.50 g/mol
LogP0.82
Rot. Bonds6

About ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate

ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate (PubChem CID 55644563) has the molecular formula C17H27N5O5S and a molecular weight of 413.50 g/mol. Its IUPAC name is ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate
PubChem CID55644563
Molecular FormulaC17H27N5O5S
Molecular Weight413.50 g/mol
Exact Mass413.17
IUPAC Nameethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(C)C
InChIInChI=1S/C17H27N5O5S/c1-5-27-17(25)19-12(10(2)3)14(23)20-21-15(24)13-11(4)18-16(28-13)22-6-8-26-9-7-22/h10,12H,5-9H2,1-4H3,(H,19,25)(H,20,23)(H,21,24)
InChIKeyUWTPYBVBQYBEMB-UHFFFAOYSA-N
XLogP0.82
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate (CID 55644563) is ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(C)C.
What is the InChIKey of ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate?
The InChIKey is UWTPYBVBQYBEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O5S/c1-5-27-17(25)19-12(10(2)3)14(23)20-21-15(24)13-11(4)18-16(28-13)22-6-8-26-9-7-22/h10,12H,5-9H2,1-4H3,(H,19,25)(H,20,23)(H,21,24).
What are the key properties of ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate?
ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate has a molecular weight of 413.50 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 55644563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).