2-propan-2-yl-1,3-thiazole-5-sulfonamide

C6H10N2O2S2 — CID 22019485

IUPAC2-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCC(C)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C6H10N2O2S2/c1-4(2)6-8-3-5(11-6)12(7,9)10/h3-4H,1-2H3,(H2,7,9,10)
InChIKeyLMVOKYANPGOKGD-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.91
Rot. Bonds2

About 2-propan-2-yl-1,3-thiazole-5-sulfonamide

2-propan-2-yl-1,3-thiazole-5-sulfonamide (PubChem CID 22019485) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-propan-2-yl-1,3-thiazole-5-sulfonamide
PubChem CID22019485
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name2-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCC(C)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C6H10N2O2S2/c1-4(2)6-8-3-5(11-6)12(7,9)10/h3-4H,1-2H3,(H2,7,9,10)
InChIKeyLMVOKYANPGOKGD-UHFFFAOYSA-N
XLogP0.91
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-propan-2-yl-1,3-thiazole-5-sulfonamide (CID 22019485) is 2-propan-2-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-propan-2-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-propan-2-yl-1,3-thiazole-5-sulfonamide is CC(C)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-propan-2-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is LMVOKYANPGOKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-4(2)6-8-3-5(11-6)12(7,9)10/h3-4H,1-2H3,(H2,7,9,10).
What are the key properties of 2-propan-2-yl-1,3-thiazole-5-sulfonamide?
2-propan-2-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 206.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22019485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).