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

C19H17ClFN3S — CID 2815379

IUPAC4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole
SMILESFc1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1
InChIInChI=1S/C19H17ClFN3S/c20-15-3-1-14(2-4-15)18-13-25-19(22-18)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2
InChIKeyDMMAZWACQCKJKK-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.93
Rot. Bonds3

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

4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 2815379) has the molecular formula C19H17ClFN3S and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole
PubChem CID2815379
Molecular FormulaC19H17ClFN3S
Molecular Weight373.88 g/mol
Exact Mass373.08
IUPAC Name4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole
SMILESFc1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1
InChIInChI=1S/C19H17ClFN3S/c20-15-3-1-14(2-4-15)18-13-25-19(22-18)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2
InChIKeyDMMAZWACQCKJKK-UHFFFAOYSA-N
XLogP4.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole (CID 2815379) is 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole is Fc1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is DMMAZWACQCKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3S/c20-15-3-1-14(2-4-15)18-13-25-19(22-18)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h1-8,13H,9-12H2.
What are the key properties of 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 373.88 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 2815379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).