4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide

C20H20FN5OS — CID 136520575

IUPAC4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(CN3CCN(c4ccc(F)cn4)CC3)cs2)cc1
InChIInChI=1S/C20H20FN5OS/c21-16-5-6-18(23-11-16)26-9-7-25(8-10-26)12-17-13-28-20(24-17)15-3-1-14(2-4-15)19(22)27/h1-6,11,13H,7-10,12H2,(H2,22,27)
InChIKeyLVKGJVDHSRWRLM-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.77
Rot. Bonds5

About 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide

4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 136520575) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID136520575
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC Name4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(CN3CCN(c4ccc(F)cn4)CC3)cs2)cc1
InChIInChI=1S/C20H20FN5OS/c21-16-5-6-18(23-11-16)26-9-7-25(8-10-26)12-17-13-28-20(24-17)15-3-1-14(2-4-15)19(22)27/h1-6,11,13H,7-10,12H2,(H2,22,27)
InChIKeyLVKGJVDHSRWRLM-UHFFFAOYSA-N
XLogP2.77
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 86959514
2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 119902970
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 174565375
4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
2-phenyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 27122809
ethyl 6-[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33372876
tert-butyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate
CID 70975537
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17497154
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
4-[4-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 71887368
4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
CID 47364833

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide (CID 136520575) is 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide is NC(=O)c1ccc(-c2nc(CN3CCN(c4ccc(F)cn4)CC3)cs2)cc1.
What is the InChIKey of 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is LVKGJVDHSRWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-16-5-6-18(23-11-16)26-9-7-25(8-10-26)12-17-13-28-20(24-17)15-3-1-14(2-4-15)19(22)27/h1-6,11,13H,7-10,12H2,(H2,22,27).
What are the key properties of 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 136520575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).