4-propan-2-ylsulfonyl-1,3-thiazol-2-amine

C6H10N2O2S2 — CID 91277199

IUPAC4-propan-2-ylsulfonyl-1,3-thiazol-2-amine
SMILESCC(C)S(=O)(=O)c1csc(N)n1
InChIInChI=1S/C6H10N2O2S2/c1-4(2)12(9,10)5-3-11-6(7)8-5/h3-4H,1-2H3,(H2,7,8)
InChIKeySOSIITUCIVVSTF-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.91
Rot. Bonds2

About 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine

4-propan-2-ylsulfonyl-1,3-thiazol-2-amine (PubChem CID 91277199) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propan-2-ylsulfonyl-1,3-thiazol-2-amine
PubChem CID91277199
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name4-propan-2-ylsulfonyl-1,3-thiazol-2-amine
SMILESCC(C)S(=O)(=O)c1csc(N)n1
InChIInChI=1S/C6H10N2O2S2/c1-4(2)12(9,10)5-3-11-6(7)8-5/h3-4H,1-2H3,(H2,7,8)
InChIKeySOSIITUCIVVSTF-UHFFFAOYSA-N
XLogP0.91
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine (CID 91277199) is 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine is CC(C)S(=O)(=O)c1csc(N)n1.
What is the InChIKey of 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine?
The InChIKey is SOSIITUCIVVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-4(2)12(9,10)5-3-11-6(7)8-5/h3-4H,1-2H3,(H2,7,8).
What are the key properties of 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine?
4-propan-2-ylsulfonyl-1,3-thiazol-2-amine has a molecular weight of 206.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 91277199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).