tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate

C13H21N3O3S — CID 106379968

IUPACtert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C13H21N3O3S/c1-13(2,3)19-11(17)15-9-4-8(5-9)14-6-10-7-20-12(18)16-10/h7-9,14H,4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyCHBREFDMPCJHQF-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.58
Rot. Bonds4

About tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate (PubChem CID 106379968) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate
PubChem CID106379968
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nametert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C13H21N3O3S/c1-13(2,3)19-11(17)15-9-4-8(5-9)14-6-10-7-20-12(18)16-10/h7-9,14H,4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyCHBREFDMPCJHQF-UHFFFAOYSA-N
XLogP1.58
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate (CID 106379968) is tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate?
The InChIKey is CHBREFDMPCJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-13(2,3)19-11(17)15-9-4-8(5-9)14-6-10-7-20-12(18)16-10/h7-9,14H,4-6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate has a molecular weight of 299.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 106379968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).