2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile

C11H7ClN2OS — CID 82423065

IUPAC2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H7ClN2OS/c12-8-1-3-9(4-2-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,7H2
InChIKeyQKMZHRCLRIFIKX-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.25
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile

2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82423065) has the molecular formula C11H7ClN2OS and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile
PubChem CID82423065
Molecular FormulaC11H7ClN2OS
Molecular Weight250.71 g/mol
Exact Mass250.00
IUPAC Name2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H7ClN2OS/c12-8-1-3-9(4-2-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,7H2
InChIKeyQKMZHRCLRIFIKX-UHFFFAOYSA-N
XLogP3.25
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile (CID 82423065) is 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(COc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is QKMZHRCLRIFIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2OS/c12-8-1-3-9(4-2-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,7H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile?
2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 250.71 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82423065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).