4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine

C15H18FN3S — CID 110180089

IUPAC4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)cc2)c(CN2CCCCC2)s1
InChIInChI=1S/C15H18FN3S/c16-12-6-4-11(5-7-12)14-13(20-15(17)18-14)10-19-8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H2,17,18)
InChIKeyIANUCNUPZHIQQE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.52
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine

4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 110180089) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID110180089
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)cc2)c(CN2CCCCC2)s1
InChIInChI=1S/C15H18FN3S/c16-12-6-4-11(5-7-12)14-13(20-15(17)18-14)10-19-8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H2,17,18)
InChIKeyIANUCNUPZHIQQE-UHFFFAOYSA-N
XLogP3.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 83959732
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982248
5-cyclohexyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 82106632
methyl 2-amino-4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)thiophene-3-carboxylate
CID 39079628
6-(azepan-1-ylmethyl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 753517
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
2,3-dihydroxybutanedioic acid;5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982247
5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016603
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 51499926
N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 156782864
5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126741263

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine (CID 110180089) is 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(F)cc2)c(CN2CCCCC2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is IANUCNUPZHIQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c16-12-6-4-11(5-7-12)14-13(20-15(17)18-14)10-19-8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H2,17,18).
What are the key properties of 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 291.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110180089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).