tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate

C15H25N3O3S — CID 107255359

IUPACtert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NCc1nccs1
InChIInChI=1S/C15H25N3O3S/c1-5-20-11-8-10(18-14(19)21-15(2,3)4)13(11)17-9-12-16-6-7-22-12/h6-7,10-11,13,17H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyHAPQCAFOYQITFW-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.30
Rot. Bonds6

About tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate

tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate (PubChem CID 107255359) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate
PubChem CID107255359
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NCc1nccs1
InChIInChI=1S/C15H25N3O3S/c1-5-20-11-8-10(18-14(19)21-15(2,3)4)13(11)17-9-12-16-6-7-22-12/h6-7,10-11,13,17H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyHAPQCAFOYQITFW-UHFFFAOYSA-N
XLogP2.30
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate (CID 107255359) is tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate is CCOC1CC(NC(=O)OC(C)(C)C)C1NCc1nccs1.
What is the InChIKey of tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate?
The InChIKey is HAPQCAFOYQITFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-20-11-8-10(18-14(19)21-15(2,3)4)13(11)17-9-12-16-6-7-22-12/h6-7,10-11,13,17H,5,8-9H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate has a molecular weight of 327.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-ethoxy-2-(1,3-thiazol-2-ylmethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 107255359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).