1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine

C18H25FN4S — CID 56827347

IUPAC1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2cscn2)CC1
InChIInChI=1S/C18H25FN4S/c1-3-22-6-8-23(9-7-22)18-5-4-15(19)10-17(18)14(2)20-11-16-12-24-13-21-16/h4-5,10,12-14,20H,3,6-9,11H2,1-2H3
InChIKeyBYJVUGJGZMKICB-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.27
Rot. Bonds6

About 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 56827347) has the molecular formula C18H25FN4S and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID56827347
Molecular FormulaC18H25FN4S
Molecular Weight348.49 g/mol
Exact Mass348.18
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCCN1CCN(c2ccc(F)cc2C(C)NCc2cscn2)CC1
InChIInChI=1S/C18H25FN4S/c1-3-22-6-8-23(9-7-22)18-5-4-15(19)10-17(18)14(2)20-11-16-12-24-13-21-16/h4-5,10,12-14,20H,3,6-9,11H2,1-2H3
InChIKeyBYJVUGJGZMKICB-UHFFFAOYSA-N
XLogP3.27
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 56827347) is 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine is CCN1CCN(c2ccc(F)cc2C(C)NCc2cscn2)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is BYJVUGJGZMKICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4S/c1-3-22-6-8-23(9-7-22)18-5-4-15(19)10-17(18)14(2)20-11-16-12-24-13-21-16/h4-5,10,12-14,20H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 348.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 56827347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).