N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine

C15H19FN4S — CID 53272282

IUPACN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ncc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C15H19FN4S/c1-19-6-8-20(9-7-19)18-11-15-17-10-14(21-15)12-4-2-3-5-13(12)16/h2-5,10,18H,6-9,11H2,1H3
InChIKeyZANSTOFWHSOXEK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.20
Rot. Bonds4

About N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine

N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine (PubChem CID 53272282) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine
PubChem CID53272282
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC NameN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ncc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C15H19FN4S/c1-19-6-8-20(9-7-19)18-11-15-17-10-14(21-15)12-4-2-3-5-13(12)16/h2-5,10,18H,6-9,11H2,1H3
InChIKeyZANSTOFWHSOXEK-UHFFFAOYSA-N
XLogP2.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine (CID 53272282) is N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine is CN1CCN(NCc2ncc(-c3ccccc3F)s2)CC1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine?
The InChIKey is ZANSTOFWHSOXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-19-6-8-20(9-7-19)18-11-15-17-10-14(21-15)12-4-2-3-5-13(12)16/h2-5,10,18H,6-9,11H2,1H3.
What are the key properties of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine?
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine has a molecular weight of 306.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 53272282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).