N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide

C22H23FN4O3S — CID 86882768

IUPACN-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide
SMILESCc1nc(-c2cc(C(=O)N3CCN(C(C)C(=O)Nc4cccc(F)c4)CC3)co2)cs1
InChIInChI=1S/C22H23FN4O3S/c1-14(21(28)25-18-5-3-4-17(23)11-18)26-6-8-27(9-7-26)22(29)16-10-20(30-12-16)19-13-31-15(2)24-19/h3-5,10-14H,6-9H2,1-2H3,(H,25,28)
InChIKeyROPORXKCLYNZJA-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.64
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide

N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide (PubChem CID 86882768) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide
PubChem CID86882768
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide
SMILESCc1nc(-c2cc(C(=O)N3CCN(C(C)C(=O)Nc4cccc(F)c4)CC3)co2)cs1
InChIInChI=1S/C22H23FN4O3S/c1-14(21(28)25-18-5-3-4-17(23)11-18)26-6-8-27(9-7-26)22(29)16-10-20(30-12-16)19-13-31-15(2)24-19/h3-5,10-14H,6-9H2,1-2H3,(H,25,28)
InChIKeyROPORXKCLYNZJA-UHFFFAOYSA-N
XLogP3.64
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide (CID 86882768) is N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide is Cc1nc(-c2cc(C(=O)N3CCN(C(C)C(=O)Nc4cccc(F)c4)CC3)co2)cs1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide?
The InChIKey is ROPORXKCLYNZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-14(21(28)25-18-5-3-4-17(23)11-18)26-6-8-27(9-7-26)22(29)16-10-20(30-12-16)19-13-31-15(2)24-19/h3-5,10-14H,6-9H2,1-2H3,(H,25,28).
What are the key properties of N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide?
N-(3-fluorophenyl)-2-[4-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide has a molecular weight of 442.52 g/mol, XLogP of 3.64, 5 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-[5-(2-methyl-1,3-thiazol-4-yl)furan-3-carbonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 86882768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).