tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane

C26H38N4O4S2 — CID 153383837

IUPACtert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane
SMILESCC.COCOc1cc(C)ccc1-c1nc2sc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)nc2s1
InChIInChI=1S/C24H32N4O4S2.C2H6/c1-15-7-8-17(18(13-15)31-14-30-6)19-25-20-21(33-19)26-22(34-20)27(5)16-9-11-28(12-10-16)23(29)32-24(2,3)4;1-2/h7-8,13,16H,9-12,14H2,1-6H3;1-2H3
InChIKeyVERGHGIWCZBFAI-UHFFFAOYSA-N
MW534.75 g/mol
LogP6.57
Rot. Bonds6

About tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane

tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane (PubChem CID 153383837) has the molecular formula C26H38N4O4S2 and a molecular weight of 534.75 g/mol. Its IUPAC name is tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane
PubChem CID153383837
Molecular FormulaC26H38N4O4S2
Molecular Weight534.75 g/mol
Exact Mass534.23
IUPAC Nametert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane
SMILESCC.COCOc1cc(C)ccc1-c1nc2sc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)nc2s1
InChIInChI=1S/C24H32N4O4S2.C2H6/c1-15-7-8-17(18(13-15)31-14-30-6)19-25-20-21(33-19)26-22(34-20)27(5)16-9-11-28(12-10-16)23(29)32-24(2,3)4;1-2/h7-8,13,16H,9-12,14H2,1-6H3;1-2H3
InChIKeyVERGHGIWCZBFAI-UHFFFAOYSA-N
XLogP6.57
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.75
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane 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

tert-butyl 4-[[3-[4-imidazol-1-yl-2-(methoxymethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridazin-6-yl]-methylamino]piperidine-1-carboxylate
CID 150788885
tert-butyl (1S,5R)-3-[[5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 175703244
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
tert-butyl 3-[1-[2-(methoxymethoxy)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazine-4-carbonyl]piperidine-1-carboxylate
CID 170226604
tert-butyl 4-[(N,4-dimethylanilino)methyl]piperidine-1-carboxylate;ethane
CID 156860747
tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 68511134
tert-butyl (3R)-3-[methyl-(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646670
tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate
CID 168978985
5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 175563782
tert-butyl 4-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]piperidine-1-carboxylate
CID 91234537
tert-butyl 4-[5-[6-(methoxymethoxy)-2-methylindazol-5-yl]pyrazolo[4,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 168902520
tert-butyl 4-[[(2-chloropyrimidin-4-yl)-methylamino]methyl]piperidine-1-carboxylate
CID 71647831

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane (CID 153383837) is tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane is CC.COCOc1cc(C)ccc1-c1nc2sc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)nc2s1.
What is the InChIKey of tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane?
The InChIKey is VERGHGIWCZBFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S2.C2H6/c1-15-7-8-17(18(13-15)31-14-30-6)19-25-20-21(33-19)26-22(34-20)27(5)16-9-11-28(12-10-16)23(29)32-24(2,3)4;1-2/h7-8,13,16H,9-12,14H2,1-6H3;1-2H3.
What are the key properties of tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane?
tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane has a molecular weight of 534.75 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-[2-(methoxymethoxy)-4-methylphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 153383837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).