4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine

C27H27FN4S — CID 22486134

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCC(Nc1cc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C27H27FN4S/c1-18(19-5-3-2-4-6-19)31-24-17-22(13-16-30-24)26-25(20-7-9-23(28)10-8-20)32-27(33-26)21-11-14-29-15-12-21/h2-10,13,16-18,21,29H,11-12,14-15H2,1H3,(H,30,31)
InChIKeyCGEYWOCSYFPNQC-UHFFFAOYSA-N
MW458.61 g/mol
LogP6.65
Rot. Bonds6

About 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine (PubChem CID 22486134) has the molecular formula C27H27FN4S and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
PubChem CID22486134
Molecular FormulaC27H27FN4S
Molecular Weight458.61 g/mol
Exact Mass458.19
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCC(Nc1cc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1
InChIInChI=1S/C27H27FN4S/c1-18(19-5-3-2-4-6-19)31-24-17-22(13-16-30-24)26-25(20-7-9-23(28)10-8-20)32-27(33-26)21-11-14-29-15-12-21/h2-10,13,16-18,21,29H,11-12,14-15H2,1H3,(H,30,31)
InChIKeyCGEYWOCSYFPNQC-UHFFFAOYSA-N
XLogP6.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486140
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486148
4-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 100915242
4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 10294370
4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 154699724
N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 67537630
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 143376446
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 155563214
N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide
CID 90895100
4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]piperidine-1-carbaldehyde;4-[2-(4-fluorophenyl)-4-piperidin-4-ylimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 157303730
4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 174452652
4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 70921849

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine (CID 22486134) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine is CC(Nc1cc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine?
The InChIKey is CGEYWOCSYFPNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4S/c1-18(19-5-3-2-4-6-19)31-24-17-22(13-16-30-24)26-25(20-7-9-23(28)10-8-20)32-27(33-26)21-11-14-29-15-12-21/h2-10,13,16-18,21,29H,11-12,14-15H2,1H3,(H,30,31).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine has a molecular weight of 458.61 g/mol, XLogP of 6.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 22486134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).