5-methylidene-2-phenoxy-4H-1,3-thiazole

C10H9NOS — CID 53310446

IUPAC5-methylidene-2-phenoxy-4H-1,3-thiazole
SMILESC=C1CN=C(Oc2ccccc2)S1
InChIInChI=1S/C10H9NOS/c1-8-7-11-10(13-8)12-9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyCYSUPQYXWWASKZ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.68
Rot. Bonds1

About 5-methylidene-2-phenoxy-4H-1,3-thiazole

5-methylidene-2-phenoxy-4H-1,3-thiazole (PubChem CID 53310446) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-methylidene-2-phenoxy-4H-1,3-thiazole.

Molecular Properties

Compound Name5-methylidene-2-phenoxy-4H-1,3-thiazole
PubChem CID53310446
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name5-methylidene-2-phenoxy-4H-1,3-thiazole
SMILESC=C1CN=C(Oc2ccccc2)S1
InChIInChI=1S/C10H9NOS/c1-8-7-11-10(13-8)12-9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyCYSUPQYXWWASKZ-UHFFFAOYSA-N
XLogP2.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-phenoxy-4H-1,3-thiazole?
The IUPAC name of 5-methylidene-2-phenoxy-4H-1,3-thiazole (CID 53310446) is 5-methylidene-2-phenoxy-4H-1,3-thiazole.
What is the SMILES notation for 5-methylidene-2-phenoxy-4H-1,3-thiazole?
The canonical SMILES for 5-methylidene-2-phenoxy-4H-1,3-thiazole is C=C1CN=C(Oc2ccccc2)S1.
What is the InChIKey of 5-methylidene-2-phenoxy-4H-1,3-thiazole?
The InChIKey is CYSUPQYXWWASKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-8-7-11-10(13-8)12-9-5-3-2-4-6-9/h2-6H,1,7H2.
What are the key properties of 5-methylidene-2-phenoxy-4H-1,3-thiazole?
5-methylidene-2-phenoxy-4H-1,3-thiazole has a molecular weight of 191.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-phenoxy-4H-1,3-thiazole is sourced from PubChem (CID 53310446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).