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

C21H23FN4O2S — CID 30486580

IUPACN-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O2S/c22-17-5-3-16(4-6-17)12-23-20(27)13-25-7-9-26(10-8-25)14-21-24-18(15-29-21)19-2-1-11-28-19/h1-6,11,15H,7-10,12-14H2,(H,23,27)
InChIKeyFYVRVBPZINVNOB-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.98
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 30486580) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID30486580
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O2S/c22-17-5-3-16(4-6-17)12-23-20(27)13-25-7-9-26(10-8-25)14-21-24-18(15-29-21)19-2-1-11-28-19/h1-6,11,15H,7-10,12-14H2,(H,23,27)
InChIKeyFYVRVBPZINVNOB-UHFFFAOYSA-N
XLogP2.98
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide (CID 30486580) is N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is FYVRVBPZINVNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c22-17-5-3-16(4-6-17)12-23-20(27)13-25-7-9-26(10-8-25)14-21-24-18(15-29-21)19-2-1-11-28-19/h1-6,11,15H,7-10,12-14H2,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30486580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).