N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C20H20FN5OS — CID 55575994

IUPACN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1F)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H20FN5OS/c21-17-7-2-1-5-15(17)13-26-11-12-28-20(26)24-18(27)16-6-3-10-25(14-16)19-22-8-4-9-23-19/h1-2,4-5,7-9,11-12,16H,3,6,10,13-14H2/b24-20-
InChIKeyXBMJGNUENNSYIH-GFMRDNFCSA-N
MW397.48 g/mol
LogP2.87
Rot. Bonds4

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55575994) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID55575994
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1F)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H20FN5OS/c21-17-7-2-1-5-15(17)13-26-11-12-28-20(26)24-18(27)16-6-3-10-25(14-16)19-22-8-4-9-23-19/h1-2,4-5,7-9,11-12,16H,3,6,10,13-14H2/b24-20-
InChIKeyXBMJGNUENNSYIH-GFMRDNFCSA-N
XLogP2.87
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55575994) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(/N=c1\sccn1Cc1ccccc1F)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is XBMJGNUENNSYIH-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-17-7-2-1-5-15(17)13-26-11-12-28-20(26)24-18(27)16-6-3-10-25(14-16)19-22-8-4-9-23-19/h1-2,4-5,7-9,11-12,16H,3,6,10,13-14H2/b24-20-.
What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55575994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).