2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile

C13H11ClN2O2S — CID 143118215

IUPAC2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile
SMILESCOCc1ncsc1COc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H11ClN2O2S/c1-17-6-12-13(19-8-16-12)7-18-10-3-2-9(5-15)11(14)4-10/h2-4,8H,6-7H2,1H3
InChIKeySYSBDTKYAVEPSI-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.39
Rot. Bonds5

About 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile

2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile (PubChem CID 143118215) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile
PubChem CID143118215
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile
SMILESCOCc1ncsc1COc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H11ClN2O2S/c1-17-6-12-13(19-8-16-12)7-18-10-3-2-9(5-15)11(14)4-10/h2-4,8H,6-7H2,1H3
InChIKeySYSBDTKYAVEPSI-UHFFFAOYSA-N
XLogP3.39
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile (CID 143118215) is 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile is COCc1ncsc1COc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile?
The InChIKey is SYSBDTKYAVEPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-17-6-12-13(19-8-16-12)7-18-10-3-2-9(5-15)11(14)4-10/h2-4,8H,6-7H2,1H3.
What are the key properties of 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile?
2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile has a molecular weight of 294.76 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile is sourced from PubChem (CID 143118215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).