2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole

C16H19FN4S — CID 133383591

IUPAC2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESFc1cccc(CN2CCN(c3nnc(C4CC4)s3)CC2)c1
InChIInChI=1S/C16H19FN4S/c17-14-3-1-2-12(10-14)11-20-6-8-21(9-7-20)16-19-18-15(22-16)13-4-5-13/h1-3,10,13H,4-9,11H2
InChIKeyVQLRHMBIZJRNRM-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.88
Rot. Bonds4

About 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 133383591) has the molecular formula C16H19FN4S and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID133383591
Molecular FormulaC16H19FN4S
Molecular Weight318.42 g/mol
Exact Mass318.13
IUPAC Name2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESFc1cccc(CN2CCN(c3nnc(C4CC4)s3)CC2)c1
InChIInChI=1S/C16H19FN4S/c17-14-3-1-2-12(10-14)11-20-6-8-21(9-7-20)16-19-18-15(22-16)13-4-5-13/h1-3,10,13H,4-9,11H2
InChIKeyVQLRHMBIZJRNRM-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365872
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 71850455
1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol
CID 72934998
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 155981351
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 133366189
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 97038981
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
CID 46998417

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole (CID 133383591) is 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole is Fc1cccc(CN2CCN(c3nnc(C4CC4)s3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is VQLRHMBIZJRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4S/c17-14-3-1-2-12(10-14)11-20-6-8-21(9-7-20)16-19-18-15(22-16)13-4-5-13/h1-3,10,13H,4-9,11H2.
What are the key properties of 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 318.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133383591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).