4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole

C8H13NO2S2 — CID 52602693

IUPAC4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CS(C)(=O)=O)cs1
InChIInChI=1S/C8H13NO2S2/c1-6(2)8-9-7(4-12-8)5-13(3,10)11/h4,6H,5H2,1-3H3
InChIKeyVKKQKFCJQPYVRB-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.81
Rot. Bonds3

About 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole

4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 52602693) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
PubChem CID52602693
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CS(C)(=O)=O)cs1
InChIInChI=1S/C8H13NO2S2/c1-6(2)8-9-7(4-12-8)5-13(3,10)11/h4,6H,5H2,1-3H3
InChIKeyVKKQKFCJQPYVRB-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole
CID 99841298
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
4-(methylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61023178
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
N-(2-propan-2-yl-1,3-thiazol-4-yl)methanesulfonamide
CID 146536348
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
4-(2-propan-2-yl-1,3-thiazol-4-yl)butan-2-imine
CID 163539430
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole (CID 52602693) is 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(CS(C)(=O)=O)cs1.
What is the InChIKey of 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is VKKQKFCJQPYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-6(2)8-9-7(4-12-8)5-13(3,10)11/h4,6H,5H2,1-3H3.
What are the key properties of 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole?
4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 219.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 52602693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).