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

C19H21FN4S — CID 45240229

IUPACN-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
SMILESFc1cccc(NC2CCCN(Cc3cccn3-c3nccs3)C2)c1
InChIInChI=1S/C19H21FN4S/c20-15-4-1-5-16(12-15)22-17-6-2-9-23(13-17)14-18-7-3-10-24(18)19-21-8-11-25-19/h1,3-5,7-8,10-12,17,22H,2,6,9,13-14H2
InChIKeyKXVKGOHSXLXGLZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.15
Rot. Bonds5

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

N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine (PubChem CID 45240229) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
PubChem CID45240229
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC NameN-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
SMILESFc1cccc(NC2CCCN(Cc3cccn3-c3nccs3)C2)c1
InChIInChI=1S/C19H21FN4S/c20-15-4-1-5-16(12-15)22-17-6-2-9-23(13-17)14-18-7-3-10-24(18)19-21-8-11-25-19/h1,3-5,7-8,10-12,17,22H,2,6,9,13-14H2
InChIKeyKXVKGOHSXLXGLZ-UHFFFAOYSA-N
XLogP4.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine (CID 45240229) is N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine is Fc1cccc(NC2CCCN(Cc3cccn3-c3nccs3)C2)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine?
The InChIKey is KXVKGOHSXLXGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4S/c20-15-4-1-5-16(12-15)22-17-6-2-9-23(13-17)14-18-7-3-10-24(18)19-21-8-11-25-19/h1,3-5,7-8,10-12,17,22H,2,6,9,13-14H2.
What are the key properties of N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine?
N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine has a molecular weight of 356.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 45240229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).