2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile

C13H11ClN2OS — CID 62946834

IUPAC2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
SMILESCc1ncsc1CCOc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H11ClN2OS/c1-9-13(18-8-16-9)4-5-17-11-3-2-10(7-15)12(14)6-11/h2-3,6,8H,4-5H2,1H3
InChIKeyYBKUYSMMGOGPLI-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.60
Rot. Bonds4

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

2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile (PubChem CID 62946834) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
PubChem CID62946834
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
SMILESCc1ncsc1CCOc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H11ClN2OS/c1-9-13(18-8-16-9)4-5-17-11-3-2-10(7-15)12(14)6-11/h2-3,6,8H,4-5H2,1H3
InChIKeyYBKUYSMMGOGPLI-UHFFFAOYSA-N
XLogP3.60
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 63094778
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62071333
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 62948313
2-chloro-4-[[4-(methoxymethyl)-1,3-thiazol-5-yl]methoxy]benzonitrile
CID 143118215
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 104717167
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile
CID 102674720
5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile
CID 54860959
2-chloro-4-decoxybenzonitrile
CID 102724082
3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 81282980
(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
CID 170147977
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile (CID 62946834) is 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile is Cc1ncsc1CCOc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile?
The InChIKey is YBKUYSMMGOGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-9-13(18-8-16-9)4-5-17-11-3-2-10(7-15)12(14)6-11/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile?
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile has a molecular weight of 278.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile is sourced from PubChem (CID 62946834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).