2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole

C18H22N4S — CID 133381572

IUPAC2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESC(=C/c1ccccc1)\CN1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C18H22N4S/c1-2-5-15(6-3-1)7-4-10-21-11-13-22(14-12-21)18-20-19-17(23-18)16-8-9-16/h1-7,16H,8-14H2/b7-4+
InChIKeyHSXQEMNQOIOEGM-QPJJXVBHSA-N
MW326.47 g/mol
LogP3.25
Rot. Bonds5

About 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 133381572) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID133381572
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESC(=C/c1ccccc1)\CN1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C18H22N4S/c1-2-5-15(6-3-1)7-4-10-21-11-13-22(14-12-21)18-20-19-17(23-18)16-8-9-16/h1-7,16H,8-14H2/b7-4+
InChIKeyHSXQEMNQOIOEGM-QPJJXVBHSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
CID 6916050
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974
6-ethoxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3-benzothiazole
CID 90601905
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole (CID 133381572) is 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole is C(=C/c1ccccc1)\CN1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is HSXQEMNQOIOEGM-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H22N4S/c1-2-5-15(6-3-1)7-4-10-21-11-13-22(14-12-21)18-20-19-17(23-18)16-8-9-16/h1-7,16H,8-14H2/b7-4+.
What are the key properties of 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 326.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133381572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).