1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine

C7H12N2O2S2 — CID 117186995

IUPAC1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine
SMILESCC(C)SCC1=NC(N)=CS1(=O)=O
InChIInChI=1S/C7H12N2O2S2/c1-5(2)12-3-7-9-6(8)4-13(7,10)11/h4-5H,3,8H2,1-2H3
InChIKeyVPSIYYJZGQGYQQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.71
Rot. Bonds3

About 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine

1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine (PubChem CID 117186995) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine
PubChem CID117186995
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine
SMILESCC(C)SCC1=NC(N)=CS1(=O)=O
InChIInChI=1S/C7H12N2O2S2/c1-5(2)12-3-7-9-6(8)4-13(7,10)11/h4-5H,3,8H2,1-2H3
InChIKeyVPSIYYJZGQGYQQ-UHFFFAOYSA-N
XLogP0.71
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine?
The IUPAC name of 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine (CID 117186995) is 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine is CC(C)SCC1=NC(N)=CS1(=O)=O.
What is the InChIKey of 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine?
The InChIKey is VPSIYYJZGQGYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-5(2)12-3-7-9-6(8)4-13(7,10)11/h4-5H,3,8H2,1-2H3.
What are the key properties of 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine?
1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine has a molecular weight of 220.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 117186995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).