5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile

C17H10ClFN2OS — CID 141277358

IUPAC5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(Cl)c(Oc2snc(-c3ccccc3F)c2C#N)c1
InChIInChI=1S/C17H10ClFN2OS/c1-10-6-7-13(18)15(8-10)22-17-12(9-20)16(21-23-17)11-4-2-3-5-14(11)19/h2-8H,1H3
InChIKeyRUPCADRGVWQUJW-UHFFFAOYSA-N
MW344.80 g/mol
LogP5.57
Rot. Bonds3

About 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile

5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile (PubChem CID 141277358) has the molecular formula C17H10ClFN2OS and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile
PubChem CID141277358
Molecular FormulaC17H10ClFN2OS
Molecular Weight344.80 g/mol
Exact Mass344.02
IUPAC Name5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(Cl)c(Oc2snc(-c3ccccc3F)c2C#N)c1
InChIInChI=1S/C17H10ClFN2OS/c1-10-6-7-13(18)15(8-10)22-17-12(9-20)16(21-23-17)11-4-2-3-5-14(11)19/h2-8H,1H3
InChIKeyRUPCADRGVWQUJW-UHFFFAOYSA-N
XLogP5.57
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.80
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile (CID 141277358) is 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile is Cc1ccc(Cl)c(Oc2snc(-c3ccccc3F)c2C#N)c1.
What is the InChIKey of 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile?
The InChIKey is RUPCADRGVWQUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2OS/c1-10-6-7-13(18)15(8-10)22-17-12(9-20)16(21-23-17)11-4-2-3-5-14(11)19/h2-8H,1H3.
What are the key properties of 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile?
5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile has a molecular weight of 344.80 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 141277358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).