2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide

C7H12N2O2S2 — CID 137443490

IUPAC2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
SMILESCOC(C)(C)c1ncc(S(N)=O)s1
InChIInChI=1S/C7H12N2O2S2/c1-7(2,11-3)6-9-4-5(12-6)13(8)10/h4H,8H2,1-3H3
InChIKeyZSVYOOOZJIONCF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide

2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide (PubChem CID 137443490) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
PubChem CID137443490
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
SMILESCOC(C)(C)c1ncc(S(N)=O)s1
InChIInChI=1S/C7H12N2O2S2/c1-7(2,11-3)6-9-4-5(12-6)13(8)10/h4H,8H2,1-3H3
InChIKeyZSVYOOOZJIONCF-UHFFFAOYSA-N
XLogP1.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide?
The IUPAC name of 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide (CID 137443490) is 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide is COC(C)(C)c1ncc(S(N)=O)s1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide?
The InChIKey is ZSVYOOOZJIONCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-7(2,11-3)6-9-4-5(12-6)13(8)10/h4H,8H2,1-3H3.
What are the key properties of 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide?
2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide has a molecular weight of 220.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide is sourced from PubChem (CID 137443490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).