N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C19H25FN4OS — CID 120843128

IUPACN-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2nc3ccc(F)cc3s2)C1)C1CCCN1
InChIInChI=1S/C19H25FN4OS/c20-14-5-6-15-17(9-14)26-18(23-15)12-24-8-2-3-13(11-24)10-22-19(25)16-4-1-7-21-16/h5-6,9,13,16,21H,1-4,7-8,10-12H2,(H,22,25)
InChIKeyIYKZUEGHNMXUSS-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.52
Rot. Bonds5

About N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 120843128) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID120843128
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC NameN-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCN(Cc2nc3ccc(F)cc3s2)C1)C1CCCN1
InChIInChI=1S/C19H25FN4OS/c20-14-5-6-15-17(9-14)26-18(23-15)12-24-8-2-3-13(11-24)10-22-19(25)16-4-1-7-21-16/h5-6,9,13,16,21H,1-4,7-8,10-12H2,(H,22,25)
InChIKeyIYKZUEGHNMXUSS-UHFFFAOYSA-N
XLogP2.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843136
(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649814
6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 120840187
N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843208
N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 137077057
(2R)-N-[[(3R)-1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 98887072
6-fluoro-2-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole;hydrochloride
CID 120845803
1-[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844575
N-[[1-[(3-chloro-4-nitrophenyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843107
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843187

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 120843128) is N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1CCCN(Cc2nc3ccc(F)cc3s2)C1)C1CCCN1.
What is the InChIKey of N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is IYKZUEGHNMXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c20-14-5-6-15-17(9-14)26-18(23-15)12-24-8-2-3-13(11-24)10-22-19(25)16-4-1-7-21-16/h5-6,9,13,16,21H,1-4,7-8,10-12H2,(H,22,25).
What are the key properties of N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120843128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).