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

C10H9NOS — CID 5305422

IUPAC4-(4-methylphenyl)-3H-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C10H9NOS/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKeyFKFCXWOMNWZZQG-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.41
Rot. Bonds1

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

4-(4-methylphenyl)-3H-1,3-thiazol-2-one (PubChem CID 5305422) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-3H-1,3-thiazol-2-one
PubChem CID5305422
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name4-(4-methylphenyl)-3H-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C10H9NOS/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKeyFKFCXWOMNWZZQG-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-methylphenyl)-3H-1,3-thiazol-2-one (CID 5305422) is 4-(4-methylphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-methylphenyl)-3H-1,3-thiazol-2-one is Cc1ccc(-c2csc(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is FKFCXWOMNWZZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12).
What are the key properties of 4-(4-methylphenyl)-3H-1,3-thiazol-2-one?
4-(4-methylphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 191.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 5305422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).