2-(4-chlorophenoxy)-5-methyl-1,3-thiazole

C10H8ClNOS — CID 117190378

IUPAC2-(4-chlorophenoxy)-5-methyl-1,3-thiazole
SMILESCc1cnc(Oc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H8ClNOS/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3
InChIKeyXQFHRDBVCIKUIC-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.90
Rot. Bonds2

About 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole

2-(4-chlorophenoxy)-5-methyl-1,3-thiazole (PubChem CID 117190378) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-5-methyl-1,3-thiazole
PubChem CID117190378
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name2-(4-chlorophenoxy)-5-methyl-1,3-thiazole
SMILESCc1cnc(Oc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H8ClNOS/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3
InChIKeyXQFHRDBVCIKUIC-UHFFFAOYSA-N
XLogP3.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole (CID 117190378) is 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole is Cc1cnc(Oc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole?
The InChIKey is XQFHRDBVCIKUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-6H,1H3.
What are the key properties of 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole?
2-(4-chlorophenoxy)-5-methyl-1,3-thiazole has a molecular weight of 225.70 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-5-methyl-1,3-thiazole is sourced from PubChem (CID 117190378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).