4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one

C8H7NOS2 — CID 43286802

IUPAC4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)[nH]2)s1
InChIInChI=1S/C8H7NOS2/c1-5-2-3-7(12-5)6-4-11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKeyVGLIQZJCKMOWTP-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.47
Rot. Bonds1

About 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one

4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one (PubChem CID 43286802) has the molecular formula C8H7NOS2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one
PubChem CID43286802
Molecular FormulaC8H7NOS2
Molecular Weight197.28 g/mol
Exact Mass197.00
IUPAC Name4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)[nH]2)s1
InChIInChI=1S/C8H7NOS2/c1-5-2-3-7(12-5)6-4-11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKeyVGLIQZJCKMOWTP-UHFFFAOYSA-N
XLogP2.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one (CID 43286802) is 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one is Cc1ccc(-c2csc(=O)[nH]2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one?
The InChIKey is VGLIQZJCKMOWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS2/c1-5-2-3-7(12-5)6-4-11-8(10)9-6/h2-4H,1H3,(H,9,10).
What are the key properties of 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one?
4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).