[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone

C16H16F2N4OS — CID 133335465

IUPAC[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C16H16F2N4OS/c17-12-4-3-11(9-13(12)18)15(23)21-5-7-22(8-6-21)16-19-14(20-24-16)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyMBTRGKMKHOHOKN-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.66
Rot. Bonds3

About [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone

[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 133335465) has the molecular formula C16H16F2N4OS and a molecular weight of 350.39 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID133335465
Molecular FormulaC16H16F2N4OS
Molecular Weight350.39 g/mol
Exact Mass350.10
IUPAC Name[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C16H16F2N4OS/c17-12-4-3-11(9-13(12)18)15(23)21-5-7-22(8-6-21)16-19-14(20-24-16)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyMBTRGKMKHOHOKN-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole
CID 133480614
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 1447469
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(3,4-difluorophenyl)methanone
CID 121092577
1-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 71860393
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113077272
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 53033594
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
(3,4-difluorophenyl)-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197301

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone (CID 133335465) is [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is MBTRGKMKHOHOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4OS/c17-12-4-3-11(9-13(12)18)15(23)21-5-7-22(8-6-21)16-19-14(20-24-16)10-1-2-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 350.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 133335465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).