2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol

C11H19NO3S2 — CID 82432189

IUPAC2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCc1nc(CS(C)(=O)=O)sc1C(C)(C)O
InChIInChI=1S/C11H19NO3S2/c1-5-6-8-10(11(2,3)13)16-9(12-8)7-17(4,14)15/h13H,5-7H2,1-4H3
InChIKeyTVFNHCLUYKVRMX-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol

2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82432189) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82432189
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
SMILESCCCc1nc(CS(C)(=O)=O)sc1C(C)(C)O
InChIInChI=1S/C11H19NO3S2/c1-5-6-8-10(11(2,3)13)16-9(12-8)7-17(4,14)15/h13H,5-7H2,1-4H3
InChIKeyTVFNHCLUYKVRMX-UHFFFAOYSA-N
XLogP1.87
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol (CID 82432189) is 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol is CCCc1nc(CS(C)(=O)=O)sc1C(C)(C)O.
What is the InChIKey of 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is TVFNHCLUYKVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-5-6-8-10(11(2,3)13)16-9(12-8)7-17(4,14)15/h13H,5-7H2,1-4H3.
What are the key properties of 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82432189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).