N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide

C24H25FN4O3S — CID 24515769

IUPACN-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
SMILESCc1nc(COc2ccccc2C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C24H25FN4O3S/c1-17-26-20(16-33-17)15-32-22-5-3-2-4-21(22)24(31)29-12-10-28(11-13-29)14-23(30)27-19-8-6-18(25)7-9-19/h2-9,16H,10-15H2,1H3,(H,27,30)
InChIKeyCMHCGMTUNGTKII-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.57
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide (PubChem CID 24515769) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
PubChem CID24515769
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
SMILESCc1nc(COc2ccccc2C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C24H25FN4O3S/c1-17-26-20(16-33-17)15-32-22-5-3-2-4-21(22)24(31)29-12-10-28(11-13-29)14-23(30)27-19-8-6-18(25)7-9-19/h2-9,16H,10-15H2,1H3,(H,27,30)
InChIKeyCMHCGMTUNGTKII-UHFFFAOYSA-N
XLogP3.57
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide (CID 24515769) is N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide is Cc1nc(COc2ccccc2C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?
The InChIKey is CMHCGMTUNGTKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-17-26-20(16-33-17)15-32-22-5-3-2-4-21(22)24(31)29-12-10-28(11-13-29)14-23(30)27-19-8-6-18(25)7-9-19/h2-9,16H,10-15H2,1H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide has a molecular weight of 468.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24515769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).