4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole

C8H13NO2S2 — CID 137320865

IUPAC4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
SMILESCCCc1nc(CS(C)(=O)=O)cs1
InChIInChI=1S/C8H13NO2S2/c1-3-4-8-9-7(5-12-8)6-13(2,10)11/h5H,3-4,6H2,1-2H3
InChIKeyALCBAEYXKBAVSV-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.64
Rot. Bonds4

About 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole

4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole (PubChem CID 137320865) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
PubChem CID137320865
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
SMILESCCCc1nc(CS(C)(=O)=O)cs1
InChIInChI=1S/C8H13NO2S2/c1-3-4-8-9-7(5-12-8)6-13(2,10)11/h5H,3-4,6H2,1-2H3
InChIKeyALCBAEYXKBAVSV-UHFFFAOYSA-N
XLogP1.64
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole?
The IUPAC name of 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole (CID 137320865) is 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole?
The canonical SMILES for 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole is CCCc1nc(CS(C)(=O)=O)cs1.
What is the InChIKey of 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole?
The InChIKey is ALCBAEYXKBAVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-3-4-8-9-7(5-12-8)6-13(2,10)11/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole?
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole has a molecular weight of 219.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole is sourced from PubChem (CID 137320865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).