1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine

C17H23FN4S — CID 167898445

IUPAC1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
SMILESCC(NCC1CNCCN1C)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C17H23FN4S/c1-12(20-10-13-9-19-7-8-22(13)2)16-11-23-17(21-16)14-5-3-4-6-15(14)18/h3-6,11-13,19-20H,7-10H2,1-2H3
InChIKeyFLIHEWDMNUAPSF-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine

1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine (PubChem CID 167898445) has the molecular formula C17H23FN4S and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
PubChem CID167898445
Molecular FormulaC17H23FN4S
Molecular Weight334.46 g/mol
Exact Mass334.16
IUPAC Name1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
SMILESCC(NCC1CNCCN1C)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C17H23FN4S/c1-12(20-10-13-9-19-7-8-22(13)2)16-11-23-17(21-16)14-5-3-4-6-15(14)18/h3-6,11-13,19-20H,7-10H2,1-2H3
InChIKeyFLIHEWDMNUAPSF-UHFFFAOYSA-N
XLogP2.50
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine (CID 167898445) is 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine is CC(NCC1CNCCN1C)c1csc(-c2ccccc2F)n1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine?
The InChIKey is FLIHEWDMNUAPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4S/c1-12(20-10-13-9-19-7-8-22(13)2)16-11-23-17(21-16)14-5-3-4-6-15(14)18/h3-6,11-13,19-20H,7-10H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine?
1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine has a molecular weight of 334.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1-methylpiperazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 167898445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).