tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate

C11H19N3O3S — CID 43819142

IUPACtert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCON(C)Cc1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)17-10(15)13-9-12-8(7-18-9)6-14(4)16-5/h7H,6H2,1-5H3,(H,12,13,15)
InChIKeyUAIVSSZGUDIGPN-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.48
Rot. Bonds4

About tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 43819142) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID43819142
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Nametert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCON(C)Cc1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)17-10(15)13-9-12-8(7-18-9)6-14(4)16-5/h7H,6H2,1-5H3,(H,12,13,15)
InChIKeyUAIVSSZGUDIGPN-UHFFFAOYSA-N
XLogP2.48
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate (CID 43819142) is tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate is CON(C)Cc1csc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is UAIVSSZGUDIGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-11(2,3)17-10(15)13-9-12-8(7-18-9)6-14(4)16-5/h7H,6H2,1-5H3,(H,12,13,15).
What are the key properties of tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 273.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 43819142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).