[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid

C8H11ClN2O4S2 — CID 146450734

IUPAC[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid
SMILESCOC(C)(C)c1ncc(S(=O)(Cl)=NC(=O)O)s1
InChIInChI=1S/C8H11ClN2O4S2/c1-8(2,15-3)6-10-4-5(16-6)17(9,14)11-7(12)13/h4H,1-3H3,(H,12,13)
InChIKeyKDQUYRKJIOAFIE-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.68
Rot. Bonds3

About [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid

[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid (PubChem CID 146450734) has the molecular formula C8H11ClN2O4S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid.

Molecular Properties

Compound Name[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid
PubChem CID146450734
Molecular FormulaC8H11ClN2O4S2
Molecular Weight298.77 g/mol
Exact Mass297.98
IUPAC Name[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid
SMILESCOC(C)(C)c1ncc(S(=O)(Cl)=NC(=O)O)s1
InChIInChI=1S/C8H11ClN2O4S2/c1-8(2,15-3)6-10-4-5(16-6)17(9,14)11-7(12)13/h4H,1-3H3,(H,12,13)
InChIKeyKDQUYRKJIOAFIE-UHFFFAOYSA-N
XLogP2.68
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The IUPAC name of [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid (CID 146450734) is [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid.
What is the SMILES notation for [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The canonical SMILES for [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid is COC(C)(C)c1ncc(S(=O)(Cl)=NC(=O)O)s1.
What is the InChIKey of [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The InChIKey is KDQUYRKJIOAFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S2/c1-8(2,15-3)6-10-4-5(16-6)17(9,14)11-7(12)13/h4H,1-3H3,(H,12,13).
What are the key properties of [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid?
[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid has a molecular weight of 298.77 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid is sourced from PubChem (CID 146450734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).