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

C16H18F2N4O2S — CID 171324181

IUPAC1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
SMILESCOCCc1nsc(N2CCN(Cc3cc(F)ccc3F)C(=O)C2)n1
InChIInChI=1S/C16H18F2N4O2S/c1-24-7-4-14-19-16(25-20-14)22-6-5-21(15(23)10-22)9-11-8-12(17)2-3-13(11)18/h2-3,8H,4-7,9-10H2,1H3
InChIKeyMIOKFLJCINOIFX-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.85
Rot. Bonds6

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

1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one (PubChem CID 171324181) has the molecular formula C16H18F2N4O2S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
PubChem CID171324181
Molecular FormulaC16H18F2N4O2S
Molecular Weight368.41 g/mol
Exact Mass368.11
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
SMILESCOCCc1nsc(N2CCN(Cc3cc(F)ccc3F)C(=O)C2)n1
InChIInChI=1S/C16H18F2N4O2S/c1-24-7-4-14-19-16(25-20-14)22-6-5-21(15(23)10-22)9-11-8-12(17)2-3-13(11)18/h2-3,8H,4-7,9-10H2,1H3
InChIKeyMIOKFLJCINOIFX-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one (CID 171324181) is 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one is COCCc1nsc(N2CCN(Cc3cc(F)ccc3F)C(=O)C2)n1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The InChIKey is MIOKFLJCINOIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2S/c1-24-7-4-14-19-16(25-20-14)22-6-5-21(15(23)10-22)9-11-8-12(17)2-3-13(11)18/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one has a molecular weight of 368.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 171324181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).