5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine

C11H11ClN2OS — CID 79774221

IUPAC5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)cc1OCc1cnc(N)s1
InChIInChI=1S/C11H11ClN2OS/c1-7-2-3-8(12)4-10(7)15-6-9-5-14-11(13)16-9/h2-5H,6H2,1H3,(H2,13,14)
InChIKeySMOHOXAUUGGPJH-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.27
Rot. Bonds3

About 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine

5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79774221) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79774221
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)cc1OCc1cnc(N)s1
InChIInChI=1S/C11H11ClN2OS/c1-7-2-3-8(12)4-10(7)15-6-9-5-14-11(13)16-9/h2-5H,6H2,1H3,(H2,13,14)
InChIKeySMOHOXAUUGGPJH-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine 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 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine (CID 79774221) is 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine is Cc1ccc(Cl)cc1OCc1cnc(N)s1.
What is the InChIKey of 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is SMOHOXAUUGGPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-2-3-8(12)4-10(7)15-6-9-5-14-11(13)16-9/h2-5H,6H2,1H3,(H2,13,14).
What are the key properties of 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine?
5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 254.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).