2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole

C14H15ClFN3S — CID 3487713

IUPAC2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(N2CCN(Cc3cnc(Cl)s3)CC2)cc1
InChIInChI=1S/C14H15ClFN3S/c15-14-17-9-13(20-14)10-18-5-7-19(8-6-18)12-3-1-11(16)2-4-12/h1-4,9H,5-8,10H2
InChIKeyCNDXSKWUIWEEAS-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole

2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 3487713) has the molecular formula C14H15ClFN3S and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID3487713
Molecular FormulaC14H15ClFN3S
Molecular Weight311.81 g/mol
Exact Mass311.07
IUPAC Name2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(N2CCN(Cc3cnc(Cl)s3)CC2)cc1
InChIInChI=1S/C14H15ClFN3S/c15-14-17-9-13(20-14)10-18-5-7-19(8-6-18)12-3-1-11(16)2-4-12/h1-4,9H,5-8,10H2
InChIKeyCNDXSKWUIWEEAS-UHFFFAOYSA-N
XLogP3.26
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 3487713) is 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole is Fc1ccc(N2CCN(Cc3cnc(Cl)s3)CC2)cc1.
What is the InChIKey of 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is CNDXSKWUIWEEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3S/c15-14-17-9-13(20-14)10-18-5-7-19(8-6-18)12-3-1-11(16)2-4-12/h1-4,9H,5-8,10H2.
What are the key properties of 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 311.81 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 3487713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).