4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine

C15H16ClFN2OS — CID 43138287

IUPAC4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine
SMILESFc1cc(-c2nc(CCl)cs2)ccc1CN1CCOCC1
InChIInChI=1S/C15H16ClFN2OS/c16-8-13-10-21-15(18-13)11-1-2-12(14(17)7-11)9-19-3-5-20-6-4-19/h1-2,7,10H,3-6,8-9H2
InChIKeyBODVAQAIOROOQN-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.52
Rot. Bonds4

About 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine

4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine (PubChem CID 43138287) has the molecular formula C15H16ClFN2OS and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine
PubChem CID43138287
Molecular FormulaC15H16ClFN2OS
Molecular Weight326.82 g/mol
Exact Mass326.07
IUPAC Name4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine
SMILESFc1cc(-c2nc(CCl)cs2)ccc1CN1CCOCC1
InChIInChI=1S/C15H16ClFN2OS/c16-8-13-10-21-15(18-13)11-1-2-12(14(17)7-11)9-19-3-5-20-6-4-19/h1-2,7,10H,3-6,8-9H2
InChIKeyBODVAQAIOROOQN-UHFFFAOYSA-N
XLogP3.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine 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 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine (CID 43138287) is 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine is Fc1cc(-c2nc(CCl)cs2)ccc1CN1CCOCC1.
What is the InChIKey of 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine?
The InChIKey is BODVAQAIOROOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2OS/c16-8-13-10-21-15(18-13)11-1-2-12(14(17)7-11)9-19-3-5-20-6-4-19/h1-2,7,10H,3-6,8-9H2.
What are the key properties of 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine?
4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine has a molecular weight of 326.82 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]morpholine is sourced from PubChem (CID 43138287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).