N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

C20H21FN4OS2 — CID 30868855

IUPACN-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C20H21FN4OS2/c21-16-5-3-15(4-6-16)12-22-20(26)25-9-7-24(8-10-25)13-19-23-17(14-28-19)18-2-1-11-27-18/h1-6,11,14H,7-10,12-13H2,(H,22,26)
InChIKeyDYLMWNZHGWQPCI-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.04
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 30868855) has the molecular formula C20H21FN4OS2 and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID30868855
Molecular FormulaC20H21FN4OS2
Molecular Weight416.55 g/mol
Exact Mass416.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C20H21FN4OS2/c21-16-5-3-15(4-6-16)12-22-20(26)25-9-7-24(8-10-25)13-19-23-17(14-28-19)18-2-1-11-27-18/h1-6,11,14H,7-10,12-13H2,(H,22,26)
InChIKeyDYLMWNZHGWQPCI-UHFFFAOYSA-N
XLogP4.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (CID 30868855) is N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is DYLMWNZHGWQPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS2/c21-16-5-3-15(4-6-16)12-22-20(26)25-9-7-24(8-10-25)13-19-23-17(14-28-19)18-2-1-11-27-18/h1-6,11,14H,7-10,12-13H2,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).