tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate

C12H20N2O4S2 — CID 137443564

IUPACtert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
SMILESCOC(C)(C)c1ncc(S(=O)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C12H20N2O4S2/c1-11(2,3)18-10(15)14-20(16)8-7-13-9(19-8)12(4,5)17-6/h7H,1-6H3,(H,14,15)
InChIKeyFGZJFHNKEUYHGR-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate

tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate (PubChem CID 137443564) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
PubChem CID137443564
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Nametert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
SMILESCOC(C)(C)c1ncc(S(=O)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C12H20N2O4S2/c1-11(2,3)18-10(15)14-20(16)8-7-13-9(19-8)12(4,5)17-6/h7H,1-6H3,(H,14,15)
InChIKeyFGZJFHNKEUYHGR-UHFFFAOYSA-N
XLogP2.57
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate (CID 137443564) is tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate is COC(C)(C)c1ncc(S(=O)NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate?
The InChIKey is FGZJFHNKEUYHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-11(2,3)18-10(15)14-20(16)8-7-13-9(19-8)12(4,5)17-6/h7H,1-6H3,(H,14,15).
What are the key properties of tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate?
tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate is sourced from PubChem (CID 137443564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).