(3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one

C14H15FN4OS — CID 125170348

IUPAC(3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
SMILESCc1nnc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)s1
InChIInChI=1S/C14H15FN4OS/c1-9-17-18-12(21-9)8-19-6-5-16-14(20)13(19)10-3-2-4-11(15)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyZPAFTHLVNCMYON-CYBMUJFWSA-N
MW306.37 g/mol
LogP1.66
Rot. Bonds3

About (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one

(3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one (PubChem CID 125170348) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
PubChem CID125170348
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name(3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
SMILESCc1nnc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)s1
InChIInChI=1S/C14H15FN4OS/c1-9-17-18-12(21-9)8-19-6-5-16-14(20)13(19)10-3-2-4-11(15)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyZPAFTHLVNCMYON-CYBMUJFWSA-N
XLogP1.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one (CID 125170348) is (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one is Cc1nnc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)s1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The InChIKey is ZPAFTHLVNCMYON-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15FN4OS/c1-9-17-18-12(21-9)8-19-6-5-16-14(20)13(19)10-3-2-4-11(15)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,16,20)/t13-/m1/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
(3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one has a molecular weight of 306.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 125170348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).