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

C11H6Cl2N2OS — CID 133424572

IUPAC3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(Cl)c(Oc2snc(Cl)c2C#N)c1
InChIInChI=1S/C11H6Cl2N2OS/c1-6-2-3-8(12)9(4-6)16-11-7(5-14)10(13)15-17-11/h2-4H,1H3
InChIKeyQQRGGFDFGWJVMU-UHFFFAOYSA-N
MW285.16 g/mol
LogP4.42
Rot. Bonds2

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

3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile (PubChem CID 133424572) has the molecular formula C11H6Cl2N2OS and a molecular weight of 285.16 g/mol. Its IUPAC name is 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
PubChem CID133424572
Molecular FormulaC11H6Cl2N2OS
Molecular Weight285.16 g/mol
Exact Mass283.96
IUPAC Name3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(Cl)c(Oc2snc(Cl)c2C#N)c1
InChIInChI=1S/C11H6Cl2N2OS/c1-6-2-3-8(12)9(4-6)16-11-7(5-14)10(13)15-17-11/h2-4H,1H3
InChIKeyQQRGGFDFGWJVMU-UHFFFAOYSA-N
XLogP4.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 141277348
3-chloro-5-(5-methyl-2-nitrophenoxy)-1,2-thiazole-4-carbonitrile
CID 133426077
5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile
CID 141277358
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile
CID 141277389
N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide
CID 133425195
5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
CID 141399803
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
CID 10988209
4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide
CID 133425252
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile (CID 133424572) is 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile is Cc1ccc(Cl)c(Oc2snc(Cl)c2C#N)c1.
What is the InChIKey of 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile?
The InChIKey is QQRGGFDFGWJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2OS/c1-6-2-3-8(12)9(4-6)16-11-7(5-14)10(13)15-17-11/h2-4H,1H3.
What are the key properties of 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile has a molecular weight of 285.16 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133424572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).