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

C18H24FN3S — CID 42525472

IUPAC(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
SMILESCC(C)c1csc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H24FN3S/c1-13(2)17-12-23-18(21-17)11-22-9-3-4-16(10-22)20-15-7-5-14(19)6-8-15/h5-8,12-13,16,20H,3-4,9-11H2,1-2H3/t16-/m0/s1
InChIKeyZRZOPZUKDHLDBJ-INIZCTEOSA-N
MW333.48 g/mol
LogP4.48
Rot. Bonds5

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

(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine (PubChem CID 42525472) has the molecular formula C18H24FN3S and a molecular weight of 333.48 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
PubChem CID42525472
Molecular FormulaC18H24FN3S
Molecular Weight333.48 g/mol
Exact Mass333.17
IUPAC Name(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
SMILESCC(C)c1csc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H24FN3S/c1-13(2)17-12-23-18(21-17)11-22-9-3-4-16(10-22)20-15-7-5-14(19)6-8-15/h5-8,12-13,16,20H,3-4,9-11H2,1-2H3/t16-/m0/s1
InChIKeyZRZOPZUKDHLDBJ-INIZCTEOSA-N
XLogP4.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 42199390
2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole
CID 131909763
(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
CID 42196859
(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
CID 42194213
1-propan-2-yl-3-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]urea
CID 95194130
ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 51633658
N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45227733
(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine
CID 25382358
(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 25374621
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 51892492
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 30728417

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine (CID 42525472) is (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine is CC(C)c1csc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)n1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine?
The InChIKey is ZRZOPZUKDHLDBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN3S/c1-13(2)17-12-23-18(21-17)11-22-9-3-4-16(10-22)20-15-7-5-14(19)6-8-15/h5-8,12-13,16,20H,3-4,9-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine?
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine has a molecular weight of 333.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 42525472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).