2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole

C16H21NO2S2 — CID 136569198

IUPAC2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole
SMILESCC(C)(c1ccccc1)c1csc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C16H21NO2S2/c1-15(2,12-9-7-6-8-10-12)13-11-20-14(17-13)16(3,4)21(5,18)19/h6-11H,1-5H3
InChIKeyVYUNOFQLZHKFEP-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.75
Rot. Bonds4

About 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole

2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole (PubChem CID 136569198) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole
PubChem CID136569198
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC Name2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole
SMILESCC(C)(c1ccccc1)c1csc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C16H21NO2S2/c1-15(2,12-9-7-6-8-10-12)13-11-20-14(17-13)16(3,4)21(5,18)19/h6-11H,1-5H3
InChIKeyVYUNOFQLZHKFEP-UHFFFAOYSA-N
XLogP3.75
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole (CID 136569198) is 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole is CC(C)(c1ccccc1)c1csc(C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole?
The InChIKey is VYUNOFQLZHKFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c1-15(2,12-9-7-6-8-10-12)13-11-20-14(17-13)16(3,4)21(5,18)19/h6-11H,1-5H3.
What are the key properties of 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole?
2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole has a molecular weight of 323.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylpropan-2-yl)-4-(2-phenylpropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 136569198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).