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

C16H20FN3S — CID 91838210

IUPAC4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C16H20FN3S/c1-13-18-14(12-21-13)6-7-19-8-10-20(11-9-19)16-5-3-2-4-15(16)17/h2-5,12H,6-11H2,1H3
InChIKeyLGQNEDCSWPQZCE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.96
Rot. Bonds4

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

4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 91838210) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID91838210
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCN2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C16H20FN3S/c1-13-18-14(12-21-13)6-7-19-8-10-20(11-9-19)16-5-3-2-4-15(16)17/h2-5,12H,6-11H2,1H3
InChIKeyLGQNEDCSWPQZCE-UHFFFAOYSA-N
XLogP2.96
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole (CID 91838210) is 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCN2CCN(c3ccccc3F)CC2)cs1.
What is the InChIKey of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is LGQNEDCSWPQZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-13-18-14(12-21-13)6-7-19-8-10-20(11-9-19)16-5-3-2-4-15(16)17/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole?
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 305.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 91838210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).