tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate

C15H26N4O4S — CID 57081685

IUPACtert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate
SMILESCONC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C15H26N4O4S/c1-15(2,3)23-14(21)17-8-6-5-7-11(19-22-4)12(20)18-13-16-9-10-24-13/h9-11,19H,5-8H2,1-4H3,(H,17,21)(H,16,18,20)
InChIKeyGZPOBXROHCPYID-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.30
Rot. Bonds9

About tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate

tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate (PubChem CID 57081685) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate
PubChem CID57081685
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Nametert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate
SMILESCONC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C15H26N4O4S/c1-15(2,3)23-14(21)17-8-6-5-7-11(19-22-4)12(20)18-13-16-9-10-24-13/h9-11,19H,5-8H2,1-4H3,(H,17,21)(H,16,18,20)
InChIKeyGZPOBXROHCPYID-UHFFFAOYSA-N
XLogP2.30
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
CID 70144327
benzyl N-[(2S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]heptan-2-yl]carbamate
CID 59028964
2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
CID 104686066
tert-butyl N-[1-[6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]hexylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 123364045
tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 156819595
methyl (2S)-2-(methylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 122173697
tert-butyl N-[(2S)-1-[[(2S)-1-[12-[[(2S)-2,6-bis[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]hexanoyl]amino]dodecylamino]-6-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-1-oxohexan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 101370072
tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 146468890
methyl (2S)-2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 155642918
2-(tert-butylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87355340
6-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 58984404

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate (CID 57081685) is tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate is CONC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1nccs1.
What is the InChIKey of tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate?
The InChIKey is GZPOBXROHCPYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-15(2,3)23-14(21)17-8-6-5-7-11(19-22-4)12(20)18-13-16-9-10-24-13/h9-11,19H,5-8H2,1-4H3,(H,17,21)(H,16,18,20).
What are the key properties of tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate?
tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate has a molecular weight of 358.46 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate is sourced from PubChem (CID 57081685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).