2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole

C8H13NO2S2 — CID 117192609

IUPAC2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
SMILESCc1ncc(CS(=O)(=O)C(C)C)s1
InChIInChI=1S/C8H13NO2S2/c1-6(2)13(10,11)5-8-4-9-7(3)12-8/h4,6H,5H2,1-3H3
InChIKeyVABCBVHTNULCTH-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole

2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 117192609) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
PubChem CID117192609
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
SMILESCc1ncc(CS(=O)(=O)C(C)C)s1
InChIInChI=1S/C8H13NO2S2/c1-6(2)13(10,11)5-8-4-9-7(3)12-8/h4,6H,5H2,1-3H3
InChIKeyVABCBVHTNULCTH-UHFFFAOYSA-N
XLogP1.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole (CID 117192609) is 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole is Cc1ncc(CS(=O)(=O)C(C)C)s1.
What is the InChIKey of 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is VABCBVHTNULCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-6(2)13(10,11)5-8-4-9-7(3)12-8/h4,6H,5H2,1-3H3.
What are the key properties of 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole?
2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 219.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 117192609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).