(4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone

C11H13NOS2 — CID 122332118

IUPAC(4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone
SMILESCSc1ccc(C(=O)N2CCSC2)cc1
InChIInChI=1S/C11H13NOS2/c1-14-10-4-2-9(3-5-10)11(13)12-6-7-15-8-12/h2-5H,6-8H2,1H3
InChIKeyBMMHNQJKKJOYEE-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.56
Rot. Bonds2

About (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone

(4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 122332118) has the molecular formula C11H13NOS2 and a molecular weight of 239.37 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID122332118
Molecular FormulaC11H13NOS2
Molecular Weight239.37 g/mol
Exact Mass239.04
IUPAC Name(4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone
SMILESCSc1ccc(C(=O)N2CCSC2)cc1
InChIInChI=1S/C11H13NOS2/c1-14-10-4-2-9(3-5-10)11(13)12-6-7-15-8-12/h2-5H,6-8H2,1H3
InChIKeyBMMHNQJKKJOYEE-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
1-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802741
1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
CID 29184328
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
(3-bromopyrrolidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 80678075
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 43415619
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide
CID 78833524
4-ethyl-1-(4-methylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 63125324
(2-methylaziridin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 22932713
(4-methylsulfanylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8624100

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone (CID 122332118) is (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone is CSc1ccc(C(=O)N2CCSC2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is BMMHNQJKKJOYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS2/c1-14-10-4-2-9(3-5-10)11(13)12-6-7-15-8-12/h2-5H,6-8H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone?
(4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 239.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122332118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).