[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid

C8H12N2O4S2 — CID 137443308

IUPAC[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid
SMILESCOC(C)(C)c1ncc(S(=O)NC(=O)O)s1
InChIInChI=1S/C8H12N2O4S2/c1-8(2,14-3)6-9-4-5(15-6)16(13)10-7(11)12/h4,10H,1-3H3,(H,11,12)
InChIKeyARVGZJFHKKGYLR-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.31
Rot. Bonds4

About [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid

[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid (PubChem CID 137443308) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid.

Molecular Properties

Compound Name[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid
PubChem CID137443308
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid
SMILESCOC(C)(C)c1ncc(S(=O)NC(=O)O)s1
InChIInChI=1S/C8H12N2O4S2/c1-8(2,14-3)6-9-4-5(15-6)16(13)10-7(11)12/h4,10H,1-3H3,(H,11,12)
InChIKeyARVGZJFHKKGYLR-UHFFFAOYSA-N
XLogP1.31
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
Tert-butyl ((2-(2-hydroxypropan-2-yl)thiazol-5-yl)sulfinyl)carbamate
CID 137443245
Methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate
CID 137443258
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

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid?
The IUPAC name of [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid (CID 137443308) is [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid.
What is the SMILES notation for [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid?
The canonical SMILES for [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid is COC(C)(C)c1ncc(S(=O)NC(=O)O)s1.
What is the InChIKey of [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid?
The InChIKey is ARVGZJFHKKGYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-8(2,14-3)6-9-4-5(15-6)16(13)10-7(11)12/h4,10H,1-3H3,(H,11,12).
What are the key properties of [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid?
[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid has a molecular weight of 264.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid is sourced from PubChem (CID 137443308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).