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

C18H18FN3S2 — CID 51178058

IUPAC4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESFc1ccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)cc1
InChIInChI=1S/C18H18FN3S2/c19-14-3-5-16(6-4-14)22-9-7-21(8-10-22)12-15-13-24-18(20-15)17-2-1-11-23-17/h1-6,11,13H,7-10,12H2
InChIKeyKEOUVUICEITLCO-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.33
Rot. Bonds4

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

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 51178058) has the molecular formula C18H18FN3S2 and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID51178058
Molecular FormulaC18H18FN3S2
Molecular Weight359.50 g/mol
Exact Mass359.09
IUPAC Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESFc1ccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)cc1
InChIInChI=1S/C18H18FN3S2/c19-14-3-5-16(6-4-14)22-9-7-21(8-10-22)12-15-13-24-18(20-15)17-2-1-11-23-17/h1-6,11,13H,7-10,12H2
InChIKeyKEOUVUICEITLCO-UHFFFAOYSA-N
XLogP4.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole (CID 51178058) is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole is Fc1ccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is KEOUVUICEITLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3S2/c19-14-3-5-16(6-4-14)22-9-7-21(8-10-22)12-15-13-24-18(20-15)17-2-1-11-23-17/h1-6,11,13H,7-10,12H2.
What are the key properties of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole?
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 359.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 51178058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).