2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline

C13H15FN4S — CID 60783049

IUPAC2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline
SMILESNc1c(F)cccc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H15FN4S/c14-10-2-1-3-11(12(10)15)17-5-7-18(8-6-17)13-16-4-9-19-13/h1-4,9H,5-8,15H2
InChIKeyKRQMSYGKHLJRGV-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.19
Rot. Bonds2

About 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline

2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline (PubChem CID 60783049) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline
PubChem CID60783049
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC Name2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline
SMILESNc1c(F)cccc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H15FN4S/c14-10-2-1-3-11(12(10)15)17-5-7-18(8-6-17)13-16-4-9-19-13/h1-4,9H,5-8,15H2
InChIKeyKRQMSYGKHLJRGV-UHFFFAOYSA-N
XLogP2.19
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 62649639
1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 43110460
2-fluoro-3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
CID 107347197
N'-[(2,6-difluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 75468898
[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanol
CID 43121061
2-bromo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 114888036
[2-bromo-3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
CID 107532169
3-amino-4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365102
2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 60783032
N'-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111814388
2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63783031
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline?
The IUPAC name of 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline (CID 60783049) is 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline?
The canonical SMILES for 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline is Nc1c(F)cccc1N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline?
The InChIKey is KRQMSYGKHLJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S/c14-10-2-1-3-11(12(10)15)17-5-7-18(8-6-17)13-16-4-9-19-13/h1-4,9H,5-8,15H2.
What are the key properties of 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline?
2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline has a molecular weight of 278.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]aniline is sourced from PubChem (CID 60783049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).