N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine

C19H26FN3S — CID 119154892

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2csc(-c3ccc(F)cc3)n2)CC(C)(C)N1
InChIInChI=1S/C19H26FN3S/c1-18(2)9-15(10-19(3,4)23-18)21-11-16-12-24-17(22-16)13-5-7-14(20)8-6-13/h5-8,12,15,21,23H,9-11H2,1-4H3
InChIKeyMRPDSVWKUNZBFX-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.35
Rot. Bonds4

About N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 119154892) has the molecular formula C19H26FN3S and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID119154892
Molecular FormulaC19H26FN3S
Molecular Weight347.50 g/mol
Exact Mass347.18
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2csc(-c3ccc(F)cc3)n2)CC(C)(C)N1
InChIInChI=1S/C19H26FN3S/c1-18(2)9-15(10-19(3,4)23-18)21-11-16-12-24-17(22-16)13-5-7-14(20)8-6-13/h5-8,12,15,21,23H,9-11H2,1-4H3
InChIKeyMRPDSVWKUNZBFX-UHFFFAOYSA-N
XLogP4.35
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine with MolForge

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Related Compounds

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]-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 78870604
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
2,2,6,6-tetramethyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664031
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80524197
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66423090
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine
CID 83010558
(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 119154892) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCc2csc(-c3ccc(F)cc3)n2)CC(C)(C)N1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is MRPDSVWKUNZBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3S/c1-18(2)9-15(10-19(3,4)23-18)21-11-16-12-24-17(22-16)13-5-7-14(20)8-6-13/h5-8,12,15,21,23H,9-11H2,1-4H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 347.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 119154892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).