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

C9H15NO3S2 — CID 82434467

IUPAC[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(CS(C)(=O)=O)sc1CO
InChIInChI=1S/C9H15NO3S2/c1-6(2)9-7(4-11)14-8(10-9)5-15(3,12)13/h6,11H,4-5H2,1-3H3
InChIKeyRSBIHOTXMQUGCN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.30
Rot. Bonds4

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

[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 82434467) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID82434467
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC Name[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(CS(C)(=O)=O)sc1CO
InChIInChI=1S/C9H15NO3S2/c1-6(2)9-7(4-11)14-8(10-9)5-15(3,12)13/h6,11H,4-5H2,1-3H3
InChIKeyRSBIHOTXMQUGCN-UHFFFAOYSA-N
XLogP1.30
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 82434467) is [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(CS(C)(=O)=O)sc1CO.
What is the InChIKey of [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is RSBIHOTXMQUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-6(2)9-7(4-11)14-8(10-9)5-15(3,12)13/h6,11H,4-5H2,1-3H3.
What are the key properties of [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82434467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).