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

C15H18FN3S — CID 53272283

IUPACN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine
SMILESFc1ccccc1-c1cnc(CNN2CCCCC2)s1
InChIInChI=1S/C15H18FN3S/c16-13-7-3-2-6-12(13)14-10-17-15(20-14)11-18-19-8-4-1-5-9-19/h2-3,6-7,10,18H,1,4-5,8-9,11H2
InChIKeyPHWWMPRVONALDR-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.44
Rot. Bonds4

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

N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine (PubChem CID 53272283) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine
PubChem CID53272283
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC NameN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine
SMILESFc1ccccc1-c1cnc(CNN2CCCCC2)s1
InChIInChI=1S/C15H18FN3S/c16-13-7-3-2-6-12(13)14-10-17-15(20-14)11-18-19-8-4-1-5-9-19/h2-3,6-7,10,18H,1,4-5,8-9,11H2
InChIKeyPHWWMPRVONALDR-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine (CID 53272283) is N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine is Fc1ccccc1-c1cnc(CNN2CCCCC2)s1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine?
The InChIKey is PHWWMPRVONALDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c16-13-7-3-2-6-12(13)14-10-17-15(20-14)11-18-19-8-4-1-5-9-19/h2-3,6-7,10,18H,1,4-5,8-9,11H2.
What are the key properties of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine?
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine has a molecular weight of 291.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine is sourced from PubChem (CID 53272283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).