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

C15H19FN4S — CID 83010558

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C15H19FN4S/c1-19-6-8-20(9-7-19)17-10-14-11-21-15(18-14)12-2-4-13(16)5-3-12/h2-5,11,17H,6-10H2,1H3
InChIKeyWADKMLIMDDBBIL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.20
Rot. Bonds4

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

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine (PubChem CID 83010558) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine
PubChem CID83010558
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C15H19FN4S/c1-19-6-8-20(9-7-19)17-10-14-11-21-15(18-14)12-2-4-13(16)5-3-12/h2-5,11,17H,6-10H2,1H3
InChIKeyWADKMLIMDDBBIL-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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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
CID 66350578
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711100
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 104854722
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine (CID 83010558) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine is CN1CCN(NCc2csc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine?
The InChIKey is WADKMLIMDDBBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-19-6-8-20(9-7-19)17-10-14-11-21-15(18-14)12-2-4-13(16)5-3-12/h2-5,11,17H,6-10H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-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-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83010558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).