4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one

C10H9NOS2 — CID 45055343

IUPAC4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one
SMILESCSc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C10H9NOS2/c1-13-8-4-2-7(3-5-8)9-6-14-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKeySZDBQEQTVAZKTM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.83
Rot. Bonds2

About 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one

4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one (PubChem CID 45055343) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one
PubChem CID45055343
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one
SMILESCSc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C10H9NOS2/c1-13-8-4-2-7(3-5-8)9-6-14-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKeySZDBQEQTVAZKTM-UHFFFAOYSA-N
XLogP2.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one (CID 45055343) is 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one is CSc1ccc(-c2csc(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is SZDBQEQTVAZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-13-8-4-2-7(3-5-8)9-6-14-10(12)11-9/h2-6H,1H3,(H,11,12).
What are the key properties of 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one?
4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 45055343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).