4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline

C15H18FN3S — CID 90786081

IUPAC4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NC(c2cscn2)N2CCCCC2)cc1
InChIInChI=1S/C15H18FN3S/c16-12-4-6-13(7-5-12)18-15(14-10-20-11-17-14)19-8-2-1-3-9-19/h4-7,10-11,15,18H,1-3,8-9H2
InChIKeyNYOFLSIBUQNAFN-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.88
Rot. Bonds4

About 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline

4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline (PubChem CID 90786081) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline
PubChem CID90786081
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NC(c2cscn2)N2CCCCC2)cc1
InChIInChI=1S/C15H18FN3S/c16-12-4-6-13(7-5-12)18-15(14-10-20-11-17-14)19-8-2-1-3-9-19/h4-7,10-11,15,18H,1-3,8-9H2
InChIKeyNYOFLSIBUQNAFN-UHFFFAOYSA-N
XLogP3.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115916752
2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115879085
2-[benzyl(methyl)amino]-N-(4-fluorophenyl)-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]acetamide
CID 90710414
[(2,6-difluorophenyl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254328
N-(4-fluorophenyl)piperidin-1-amine;hydrochloride
CID 172725388
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977
(4-fluoroanilino)-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)methanol
CID 167069112
4-(4-fluorophenoxy)-3-pyrrolidin-1-ylbutan-1-amine
CID 112501022
N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115925911
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline (CID 90786081) is 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline is Fc1ccc(NC(c2cscn2)N2CCCCC2)cc1.
What is the InChIKey of 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is NYOFLSIBUQNAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c16-12-4-6-13(7-5-12)18-15(14-10-20-11-17-14)19-8-2-1-3-9-19/h4-7,10-11,15,18H,1-3,8-9H2.
What are the key properties of 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline?
4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 291.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[piperidin-1-yl(1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 90786081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).