tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate

C20H25N3O4S — CID 66811092

IUPACtert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)Nc2ccccc2-c2nccs2)CC1
InChIInChI=1S/C20H25N3O4S/c1-20(2,3)27-19(25)23-11-8-14(9-12-23)26-18(24)22-16-7-5-4-6-15(16)17-21-10-13-28-17/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,22,24)
InChIKeyFRZIMTLPVLBLOE-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.76
Rot. Bonds3

About tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate

tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate (PubChem CID 66811092) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate
PubChem CID66811092
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Nametert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)Nc2ccccc2-c2nccs2)CC1
InChIInChI=1S/C20H25N3O4S/c1-20(2,3)27-19(25)23-11-8-14(9-12-23)26-18(24)22-16-7-5-4-6-15(16)17-21-10-13-28-17/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,22,24)
InChIKeyFRZIMTLPVLBLOE-UHFFFAOYSA-N
XLogP4.76
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate (CID 66811092) is tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC(=O)Nc2ccccc2-c2nccs2)CC1.
What is the InChIKey of tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate?
The InChIKey is FRZIMTLPVLBLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-20(2,3)27-19(25)23-11-8-14(9-12-23)26-18(24)22-16-7-5-4-6-15(16)17-21-10-13-28-17/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate?
tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate has a molecular weight of 403.50 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate is sourced from PubChem (CID 66811092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).