N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

C23H23FN4O3S — CID 26841895

IUPACN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1
InChIInChI=1S/C23H23FN4O3S/c1-31-18-8-6-16(7-9-18)22(30)26-23-25-17(15-32-23)14-21(29)28-12-10-27(11-13-28)20-5-3-2-4-19(20)24/h2-9,15H,10-14H2,1H3,(H,25,26,30)
InChIKeyIAHWICYRANQVII-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.43
Rot. Bonds6

About N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 26841895) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID26841895
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC NameN-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1
InChIInChI=1S/C23H23FN4O3S/c1-31-18-8-6-16(7-9-18)22(30)26-23-25-17(15-32-23)14-21(29)28-12-10-27(11-13-28)20-5-3-2-4-19(20)24/h2-9,15H,10-14H2,1H3,(H,25,26,30)
InChIKeyIAHWICYRANQVII-UHFFFAOYSA-N
XLogP3.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 26841895) is N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1.
What is the InChIKey of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is IAHWICYRANQVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-31-18-8-6-16(7-9-18)22(30)26-23-25-17(15-32-23)14-21(29)28-12-10-27(11-13-28)20-5-3-2-4-19(20)24/h2-9,15H,10-14H2,1H3,(H,25,26,30).
What are the key properties of N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 454.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 26841895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).