tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate

C20H33N5O5S — CID 126482675

IUPACtert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)c1nc(C(C)(C)N2CCOCC2)sc1N1CCOCC1
InChIInChI=1S/C20H33N5O5S/c1-19(2,3)30-18(27)23-22-15(26)14-16(24-6-10-28-11-7-24)31-17(21-14)20(4,5)25-8-12-29-13-9-25/h6-13H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyCRHMATDVKCKZBL-UHFFFAOYSA-N
MW455.58 g/mol
LogP1.72
Rot. Bonds4

About tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate

tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate (PubChem CID 126482675) has the molecular formula C20H33N5O5S and a molecular weight of 455.58 g/mol. Its IUPAC name is tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
PubChem CID126482675
Molecular FormulaC20H33N5O5S
Molecular Weight455.58 g/mol
Exact Mass455.22
IUPAC Nametert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)c1nc(C(C)(C)N2CCOCC2)sc1N1CCOCC1
InChIInChI=1S/C20H33N5O5S/c1-19(2,3)30-18(27)23-22-15(26)14-16(24-6-10-28-11-7-24)31-17(21-14)20(4,5)25-8-12-29-13-9-25/h6-13H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyCRHMATDVKCKZBL-UHFFFAOYSA-N
XLogP1.72
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482727
tert-butyl N-ethyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482800
ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482801
tert-butyl N-[[5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 134461702
N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 172695787
2-(1-Ethoxycyclobutyl)-5-morpholinothiazole-4-carbohydrazide
CID 126482426
tert-butyl N-ethyl-N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482835
ethyl N-tert-butyl-N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482836
5-Morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbohydrazide
CID 126483057
N-methyl-5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 126498067
2-Cyclopropyl-5-(4-morpholinyl)-4-thiazolecarboxylic acid hydrazide
CID 137355568
2-Methyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 161101698

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate (CID 126482675) is tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate is CC(C)(C)OC(=O)NNC(=O)c1nc(C(C)(C)N2CCOCC2)sc1N1CCOCC1.
What is the InChIKey of tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate?
The InChIKey is CRHMATDVKCKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O5S/c1-19(2,3)30-18(27)23-22-15(26)14-16(24-6-10-28-11-7-24)31-17(21-14)20(4,5)25-8-12-29-13-9-25/h6-13H2,1-5H3,(H,22,26)(H,23,27).
What are the key properties of tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate?
tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate has a molecular weight of 455.58 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate is sourced from PubChem (CID 126482675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).