4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole

C15H17ClFN3S — CID 60919072

IUPAC4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccccc1N1CCN(Cc2nc(CCl)cs2)CC1
InChIInChI=1S/C15H17ClFN3S/c16-9-12-11-21-15(18-12)10-19-5-7-20(8-6-19)14-4-2-1-3-13(14)17/h1-4,11H,5-10H2
InChIKeyBGOCTGJWYMSYTO-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.34
Rot. Bonds4

About 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole

4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 60919072) has the molecular formula C15H17ClFN3S and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID60919072
Molecular FormulaC15H17ClFN3S
Molecular Weight325.84 g/mol
Exact Mass325.08
IUPAC Name4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccccc1N1CCN(Cc2nc(CCl)cs2)CC1
InChIInChI=1S/C15H17ClFN3S/c16-9-12-11-21-15(18-12)10-19-5-7-20(8-6-19)14-4-2-1-3-13(14)17/h1-4,11H,5-10H2
InChIKeyBGOCTGJWYMSYTO-UHFFFAOYSA-N
XLogP3.34
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 60919072) is 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole is Fc1ccccc1N1CCN(Cc2nc(CCl)cs2)CC1.
What is the InChIKey of 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BGOCTGJWYMSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3S/c16-9-12-11-21-15(18-12)10-19-5-7-20(8-6-19)14-4-2-1-3-13(14)17/h1-4,11H,5-10H2.
What are the key properties of 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 325.84 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 60919072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).