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

C12H9ClN2OS — CID 80707777

IUPAC4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
SMILESCc1nc(COc2cc(Cl)ccc2C#N)cs1
InChIInChI=1S/C12H9ClN2OS/c1-8-15-11(7-17-8)6-16-12-4-10(13)3-2-9(12)5-14/h2-4,7H,6H2,1H3
InChIKeyCLDVIEUUZCIKFL-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.56
Rot. Bonds3

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

4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile (PubChem CID 80707777) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
PubChem CID80707777
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
SMILESCc1nc(COc2cc(Cl)ccc2C#N)cs1
InChIInChI=1S/C12H9ClN2OS/c1-8-15-11(7-17-8)6-16-12-4-10(13)3-2-9(12)5-14/h2-4,7H,6H2,1H3
InChIKeyCLDVIEUUZCIKFL-UHFFFAOYSA-N
XLogP3.56
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile 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

2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 114323384
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
2-[(4-bromothiophen-2-yl)methoxy]-4-chlorobenzonitrile
CID 114322719
4-chloro-2-ethoxybenzonitrile
CID 22721189
4-chloro-2-(methylsulfanylmethoxy)benzonitrile
CID 130678052
4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile
CID 114322679
2-[(3-bromothiophen-2-yl)methoxy]-4-chlorobenzonitrile
CID 114322746
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-chloro-2-pentoxybenzonitrile
CID 63094612
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 63094778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile (CID 80707777) is 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile is Cc1nc(COc2cc(Cl)ccc2C#N)cs1.
What is the InChIKey of 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
The InChIKey is CLDVIEUUZCIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c1-8-15-11(7-17-8)6-16-12-4-10(13)3-2-9(12)5-14/h2-4,7H,6H2,1H3.
What are the key properties of 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile?
4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile has a molecular weight of 264.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile is sourced from PubChem (CID 80707777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).