5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine

C22H25FN4S — CID 19982248

IUPAC5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(CCCN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C22H25FN4S/c23-18-8-10-19(11-9-18)27-15-13-26(14-16-27)12-4-7-20-21(25-22(24)28-20)17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H2,24,25)
InChIKeyRHXDYUYGDWYCMZ-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.29
Rot. Bonds6

About 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine

5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 19982248) has the molecular formula C22H25FN4S and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID19982248
Molecular FormulaC22H25FN4S
Molecular Weight396.54 g/mol
Exact Mass396.18
IUPAC Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(CCCN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C22H25FN4S/c23-18-8-10-19(11-9-18)27-15-13-26(14-16-27)12-4-7-20-21(25-22(24)28-20)17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H2,24,25)
InChIKeyRHXDYUYGDWYCMZ-UHFFFAOYSA-N
XLogP4.29
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxybutanedioic acid;5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982247
5-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982208
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 82058182
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
CID 13217691
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 56928320
1-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25064222
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
CID 22762532
1-(4-fluorophenyl)-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709666
1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709660

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine (CID 19982248) is 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(CCCN2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is RHXDYUYGDWYCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4S/c23-18-8-10-19(11-9-18)27-15-13-26(14-16-27)12-4-7-20-21(25-22(24)28-20)17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H2,24,25).
What are the key properties of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine?
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 396.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 19982248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).