N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C22H23FN4OS — CID 53035160

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C22H23FN4OS/c23-19-4-2-1-3-18(19)14-27-11-7-16(8-12-27)13-25-21(28)20-15-29-22(26-20)17-5-9-24-10-6-17/h1-6,9-10,15-16H,7-8,11-14H2,(H,25,28)
InChIKeyHUSLTCFEXPWALR-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.99
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 53035160) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID53035160
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2F)CC1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C22H23FN4OS/c23-19-4-2-1-3-18(19)14-27-11-7-16(8-12-27)13-25-21(28)20-15-29-22(26-20)17-5-9-24-10-6-17/h1-6,9-10,15-16H,7-8,11-14H2,(H,25,28)
InChIKeyHUSLTCFEXPWALR-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 53035160) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is O=C(NCC1CCN(Cc2ccccc2F)CC1)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HUSLTCFEXPWALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c23-19-4-2-1-3-18(19)14-27-11-7-16(8-12-27)13-25-21(28)20-15-29-22(26-20)17-5-9-24-10-6-17/h1-6,9-10,15-16H,7-8,11-14H2,(H,25,28).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53035160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).