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

C8H13N3O4S2 — CID 146450712

IUPAC[amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid
SMILESCOC(C)(C)c1ncc(S(N)(=O)=NC(=O)O)s1
InChIInChI=1S/C8H13N3O4S2/c1-8(2,15-3)6-10-4-5(16-6)17(9,14)11-7(12)13/h4H,1-3H3,(H,12,13)(H2,9,11,14)
InChIKeyFYPZKJAXIWUCOB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.40
Rot. Bonds3

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

[amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid (PubChem CID 146450712) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid.

Molecular Properties

Compound Name[amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid
PubChem CID146450712
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Name[amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid
SMILESCOC(C)(C)c1ncc(S(N)(=O)=NC(=O)O)s1
InChIInChI=1S/C8H13N3O4S2/c1-8(2,15-3)6-10-4-5(16-6)17(9,14)11-7(12)13/h4H,1-3H3,(H,12,13)(H2,9,11,14)
InChIKeyFYPZKJAXIWUCOB-UHFFFAOYSA-N
XLogP1.40
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The IUPAC name of [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid (CID 146450712) is [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid.
What is the SMILES notation for [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The canonical SMILES for [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid is COC(C)(C)c1ncc(S(N)(=O)=NC(=O)O)s1.
What is the InChIKey of [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The InChIKey is FYPZKJAXIWUCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-8(2,15-3)6-10-4-5(16-6)17(9,14)11-7(12)13/h4H,1-3H3,(H,12,13)(H2,9,11,14).
What are the key properties of [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid?
[amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid has a molecular weight of 279.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]carbamic acid is sourced from PubChem (CID 146450712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).