5-methylsulfonyl-2-propan-2-yl-1,3-thiazole

C7H11NO2S2 — CID 146520480

IUPAC5-methylsulfonyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(S(C)(=O)=O)s1
InChIInChI=1S/C7H11NO2S2/c1-5(2)7-8-4-6(11-7)12(3,9)10/h4-5H,1-3H3
InChIKeyJPPLLCRKHUSRRK-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.67
Rot. Bonds2

About 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole

5-methylsulfonyl-2-propan-2-yl-1,3-thiazole (PubChem CID 146520480) has the molecular formula C7H11NO2S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methylsulfonyl-2-propan-2-yl-1,3-thiazole
PubChem CID146520480
Molecular FormulaC7H11NO2S2
Molecular Weight205.30 g/mol
Exact Mass205.02
IUPAC Name5-methylsulfonyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(S(C)(=O)=O)s1
InChIInChI=1S/C7H11NO2S2/c1-5(2)7-8-4-6(11-7)12(3,9)10/h4-5H,1-3H3
InChIKeyJPPLLCRKHUSRRK-UHFFFAOYSA-N
XLogP1.67
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(3-methylsulfonylazetidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
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2-(2-propan-2-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82190839
5-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole
CID 126761413
5-(4-bromophenyl)-2-propan-2-yl-1,3-thiazole
CID 58910461
1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
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2-methylsulfonyl-4-propan-2-ylthiophene
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3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine
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2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-5-methylsulfonyl-1,3-thiazole
CID 18708685

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole (CID 146520480) is 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(S(C)(=O)=O)s1.
What is the InChIKey of 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is JPPLLCRKHUSRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S2/c1-5(2)7-8-4-6(11-7)12(3,9)10/h4-5H,1-3H3.
What are the key properties of 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole?
5-methylsulfonyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 205.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 146520480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).