tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate

C20H28N4O3S — CID 156819595

IUPACtert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H28N4O3S/c1-20(2,3)27-19(26)22-12-8-7-11-15(21)17(25)24-18-23-16(13-28-18)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12,21H2,1-3H3,(H,22,26)(H,23,24,25)/t15-/m0/s1
InChIKeyUQWPCWKMGMVVDA-HNNXBMFYSA-N
MW404.54 g/mol
LogP3.77
Rot. Bonds8

About tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate

tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate (PubChem CID 156819595) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
PubChem CID156819595
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Nametert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H28N4O3S/c1-20(2,3)27-19(26)22-12-8-7-11-15(21)17(25)24-18-23-16(13-28-18)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12,21H2,1-3H3,(H,22,26)(H,23,24,25)/t15-/m0/s1
InChIKeyUQWPCWKMGMVVDA-HNNXBMFYSA-N
XLogP3.77
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid
CID 175099310
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
tert-butyl N-[(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]carbamate
CID 59028995
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide
CID 75074322
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
tert-butyl N-[5-[(1-methylsulfonylpyrrole-3-carbonyl)amino]-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 166682075
tert-butyl N-[8-(hydroxyamino)-1,8-dioxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]octan-2-yl]carbamate
CID 73031692
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
tert-butyl N-[(2S,3R)-1-oxo-3-phenylmethoxy-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 2213521
benzyl 2-[[2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 175039101
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
CID 89465893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate?
The IUPAC name of tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate (CID 156819595) is tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate?
The canonical SMILES for tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate is CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate?
The InChIKey is UQWPCWKMGMVVDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-20(2,3)27-19(26)22-12-8-7-11-15(21)17(25)24-18-23-16(13-28-18)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12,21H2,1-3H3,(H,22,26)(H,23,24,25)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate?
tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate has a molecular weight of 404.54 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate is sourced from PubChem (CID 156819595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).