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

C11H18N2O4S2 — CID 137443245

IUPACtert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C11H18N2O4S2/c1-10(2,3)17-9(14)13-19(16)7-6-12-8(18-7)11(4,5)15/h6,15H,1-5H3,(H,13,14)
InChIKeyOKQOFZTYDJLTMR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.92
Rot. Bonds3

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

tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate (PubChem CID 137443245) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
PubChem CID137443245
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Nametert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C11H18N2O4S2/c1-10(2,3)17-9(14)13-19(16)7-6-12-8(18-7)11(4,5)15/h6,15H,1-5H3,(H,13,14)
InChIKeyOKQOFZTYDJLTMR-UHFFFAOYSA-N
XLogP1.92
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 132019998
2-(2-Hydroxypropan-2-yl)thiazole-5-sulfonimidamide
CID 137443194
2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol
CID 137443215
2-(2-Hydroxypropan-2-yl)thiazole-5-sulfinamide
CID 137443219
[2-(2-Methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid
CID 137443308
2-(2-Methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
CID 137443490
N-Boc-2-(2-hydroxy-2-propyl)thiazole-5-sulfonimidamide
CID 137443495
tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
CID 137443564
2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 137453211
tert-butyl N-[amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamate
CID 137453241
tert-butyl N-[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamate
CID 137453243
tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-(methylamino)-oxo-lambda6-sulfanylidene]carbamate
CID 137453251

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate (CID 137443245) is tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate is CC(C)(C)OC(=O)NS(=O)c1cnc(C(C)(C)O)s1.
What is the InChIKey of tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate?
The InChIKey is OKQOFZTYDJLTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-10(2,3)17-9(14)13-19(16)7-6-12-8(18-7)11(4,5)15/h6,15H,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate?
tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate is sourced from PubChem (CID 137443245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).