tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate

C13H18N4O3S — CID 131720154

IUPACtert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc2scc(CC(N)=O)n12
InChIInChI=1S/C13H18N4O3S/c1-13(2,3)20-12(19)16-5-10-15-6-11-17(10)8(7-21-11)4-9(14)18/h6-7H,4-5H2,1-3H3,(H2,14,18)(H,16,19)
InChIKeyAAWMIUWLKWZLQP-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.45
Rot. Bonds4

About tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate

tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate (PubChem CID 131720154) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate
PubChem CID131720154
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Nametert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc2scc(CC(N)=O)n12
InChIInChI=1S/C13H18N4O3S/c1-13(2,3)20-12(19)16-5-10-15-6-11-17(10)8(7-21-11)4-9(14)18/h6-7H,4-5H2,1-3H3,(H2,14,18)(H,16,19)
InChIKeyAAWMIUWLKWZLQP-UHFFFAOYSA-N
XLogP1.45
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.45
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-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate (CID 131720154) is tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ncc2scc(CC(N)=O)n12.
What is the InChIKey of tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate?
The InChIKey is AAWMIUWLKWZLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-13(2,3)20-12(19)16-5-10-15-6-11-17(10)8(7-21-11)4-9(14)18/h6-7H,4-5H2,1-3H3,(H2,14,18)(H,16,19).
What are the key properties of tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate?
tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate has a molecular weight of 310.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2-amino-2-oxoethyl)imidazo[5,1-b][1,3]thiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 131720154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).