(2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide

C14H14FN5O2S — CID 95046023

IUPAC(2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN5O2S/c1-8-17-13(23-19-8)18-14(22)20-7-6-16-12(21)11(20)9-2-4-10(15)5-3-9/h2-5,11H,6-7H2,1H3,(H,16,21)(H,17,18,19,22)/t11-/m1/s1
InChIKeyXVXMKOFYDJQPAA-LLVKDONJSA-N
MW335.36 g/mol
LogP1.69
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide

(2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 95046023) has the molecular formula C14H14FN5O2S and a molecular weight of 335.36 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
PubChem CID95046023
Molecular FormulaC14H14FN5O2S
Molecular Weight335.36 g/mol
Exact Mass335.09
IUPAC Name(2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN5O2S/c1-8-17-13(23-19-8)18-14(22)20-7-6-16-12(21)11(20)9-2-4-10(15)5-3-9/h2-5,11H,6-7H2,1H3,(H,16,21)(H,17,18,19,22)/t11-/m1/s1
InChIKeyXVXMKOFYDJQPAA-LLVKDONJSA-N
XLogP1.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide (CID 95046023) is (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide is Cc1nsc(NC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is XVXMKOFYDJQPAA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14FN5O2S/c1-8-17-13(23-19-8)18-14(22)20-7-6-16-12(21)11(20)9-2-4-10(15)5-3-9/h2-5,11H,6-7H2,1H3,(H,16,21)(H,17,18,19,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
(2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 95046023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).