tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate

C13H13N3O3S — CID 146371427

IUPACtert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2ccc3scnc3c2o1
InChIInChI=1S/C13H13N3O3S/c1-13(2,3)19-12(17)16-11-15-7-4-5-8-9(10(7)18-11)14-6-20-8/h4-6H,1-3H3,(H,15,16,17)
InChIKeyWRQCBOFWDHDNNA-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.78
Rot. Bonds1

About tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate

tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate (PubChem CID 146371427) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate
PubChem CID146371427
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Nametert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2ccc3scnc3c2o1
InChIInChI=1S/C13H13N3O3S/c1-13(2,3)19-12(17)16-11-15-7-4-5-8-9(10(7)18-11)14-6-20-8/h4-6H,1-3H3,(H,15,16,17)
InChIKeyWRQCBOFWDHDNNA-UHFFFAOYSA-N
XLogP3.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
tert-butyl N-(4-bromo-1,3-benzoxazol-2-yl)carbamate
CID 163409910
tert-butyl N-(5-bromo-[1,3]oxazolo[4,5-b]pyridin-2-yl)carbamate
CID 126700782
tert-butyl N-[3-[(5-chloro-1,3-benzothiazol-4-yl)amino]cyclobutyl]carbamate
CID 103759396
tert-butyl N-[3-(1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate
CID 170832282
tert-butyl N-(1-benzothiophen-3-yl)carbamate
CID 13182768
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate
CID 89497332
tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate
CID 155375435
tert-butyl N-[2-(5-bromo-2-pyridinyl)thiophen-3-yl]carbamate
CID 58248384
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate (CID 146371427) is tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc2ccc3scnc3c2o1.
What is the InChIKey of tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate?
The InChIKey is WRQCBOFWDHDNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-13(2,3)19-12(17)16-11-15-7-4-5-8-9(10(7)18-11)14-6-20-8/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate?
tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate has a molecular weight of 291.33 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-([1,3]thiazolo[5,4-g][1,3]benzoxazol-2-yl)carbamate is sourced from PubChem (CID 146371427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).