N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C23H22F2N4O2S — CID 39043901

IUPACN-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C23H22F2N4O2S/c1-15(30)26-23-27-20(14-32-23)22(31)29-12-10-28(11-13-29)21(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,21H,10-13H2,1H3,(H,26,27,30)
InChIKeyCSQADGZMWYTUIM-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.93
Rot. Bonds5

About N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 39043901) has the molecular formula C23H22F2N4O2S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID39043901
Molecular FormulaC23H22F2N4O2S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC NameN-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C23H22F2N4O2S/c1-15(30)26-23-27-20(14-32-23)22(31)29-12-10-28(11-13-29)21(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,21H,10-13H2,1H3,(H,26,27,30)
InChIKeyCSQADGZMWYTUIM-UHFFFAOYSA-N
XLogP3.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 39043901) is N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cs1.
What is the InChIKey of N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CSQADGZMWYTUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2S/c1-15(30)26-23-27-20(14-32-23)22(31)29-12-10-28(11-13-29)21(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,21H,10-13H2,1H3,(H,26,27,30).
What are the key properties of N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 456.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 39043901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).