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

C24H25FN4O3S — CID 24517630

IUPACN-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
SMILESCc1nc(COc2ccccc2C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cs1
InChIInChI=1S/C24H25FN4O3S/c1-17-26-20(16-33-17)15-32-22-8-3-2-7-21(22)24(31)29-11-9-28(10-12-29)14-23(30)27-19-6-4-5-18(25)13-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,27,30)
InChIKeyDXMINHHWTQWDMU-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.57
Rot. Bonds7

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

N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide (PubChem CID 24517630) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
PubChem CID24517630
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC NameN-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
SMILESCc1nc(COc2ccccc2C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cs1
InChIInChI=1S/C24H25FN4O3S/c1-17-26-20(16-33-17)15-32-22-8-3-2-7-21(22)24(31)29-11-9-28(10-12-29)14-23(30)27-19-6-4-5-18(25)13-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,27,30)
InChIKeyDXMINHHWTQWDMU-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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Related Compounds

N-(4-methylphenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide
CID 24517627
2-[4-(2-acetamido-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 39006102
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
N-(3-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9068043
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
N-(3-fluorophenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide
CID 9214347
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 87014558

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide (CID 24517630) is N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide is Cc1nc(COc2ccccc2C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cs1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?
The InChIKey is DXMINHHWTQWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-17-26-20(16-33-17)15-32-22-8-3-2-7-21(22)24(31)29-11-9-28(10-12-29)14-23(30)27-19-6-4-5-18(25)13-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,27,30).
What are the key properties of N-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide?
N-(3-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-(3-fluorophenyl)-2-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24517630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).