[5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C23H22FN5O2S — CID 66840313

IUPAC[5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cn1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C23H22FN5O2S/c24-18-4-1-16(2-5-18)17-3-6-20(26-13-17)22(30)29-14-19(15-29)27-8-10-28(11-9-27)23(31)21-25-7-12-32-21/h1-7,12-13,19H,8-11,14-15H2
InChIKeyVGJOLSXSGJIHSG-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.63
Rot. Bonds4

About [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

[5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840313) has the molecular formula C23H22FN5O2S and a molecular weight of 451.53 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID66840313
Molecular FormulaC23H22FN5O2S
Molecular Weight451.53 g/mol
Exact Mass451.15
IUPAC Name[5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cn1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C23H22FN5O2S/c24-18-4-1-16(2-5-18)17-3-6-20(26-13-17)22(30)29-14-19(15-29)27-8-10-28(11-9-27)23(31)21-25-7-12-32-21/h1-7,12-13,19H,8-11,14-15H2
InChIKeyVGJOLSXSGJIHSG-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840868
(4-pyrimidin-5-ylphenyl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840043
[3-(4-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840992
[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840427
[4-chloro-1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 90339746
[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 123497602
3-(4-fluorophenyl)-6-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3a,7a-dihydro-1H-benzimidazol-2-one
CID 90346521
[3-(3-fluorophenyl)-1-methylindol-6-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840614
(2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840347
(2-phenyl-3H-benzimidazol-5-yl)-[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840197
[6-phenyl-3-(trifluoromethyl)-1-benzothiophen-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840728
(3-phenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840730

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840313) is [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2)cn1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.
What is the InChIKey of [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is VGJOLSXSGJIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S/c24-18-4-1-16(2-5-18)17-3-6-20(26-13-17)22(30)29-14-19(15-29)27-8-10-28(11-9-27)23(31)21-25-7-12-32-21/h1-7,12-13,19H,8-11,14-15H2.
What are the key properties of [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 451.53 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-pyridinyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).