2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole

C11H19NO3S3 — CID 75379477

IUPAC2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole
SMILESCc1ncc(CS(=O)CCCS(=O)(=O)C(C)C)s1
InChIInChI=1S/C11H19NO3S3/c1-9(2)18(14,15)6-4-5-17(13)8-11-7-12-10(3)16-11/h7,9H,4-6,8H2,1-3H3
InChIKeyFPJVBRRHGZAONM-UHFFFAOYSA-N
MW309.48 g/mol
LogP1.91
Rot. Bonds7

About 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole

2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole (PubChem CID 75379477) has the molecular formula C11H19NO3S3 and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole
PubChem CID75379477
Molecular FormulaC11H19NO3S3
Molecular Weight309.48 g/mol
Exact Mass309.05
IUPAC Name2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole
SMILESCc1ncc(CS(=O)CCCS(=O)(=O)C(C)C)s1
InChIInChI=1S/C11H19NO3S3/c1-9(2)18(14,15)6-4-5-17(13)8-11-7-12-10(3)16-11/h7,9H,4-6,8H2,1-3H3
InChIKeyFPJVBRRHGZAONM-UHFFFAOYSA-N
XLogP1.91
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole (CID 75379477) is 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole is Cc1ncc(CS(=O)CCCS(=O)(=O)C(C)C)s1.
What is the InChIKey of 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole?
The InChIKey is FPJVBRRHGZAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S3/c1-9(2)18(14,15)6-4-5-17(13)8-11-7-12-10(3)16-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole?
2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole has a molecular weight of 309.48 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-propan-2-ylsulfonylpropylsulfinylmethyl)-1,3-thiazole is sourced from PubChem (CID 75379477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).