5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole

C13H15ClN4S — CID 39975318

IUPAC5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
SMILESClc1snnc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H15ClN4S/c14-13-12(15-16-19-13)10-17-6-8-18(9-7-17)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeySPBMKFXSJKCSGA-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.51
Rot. Bonds3

About 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole

5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole (PubChem CID 39975318) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
PubChem CID39975318
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
SMILESClc1snnc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H15ClN4S/c14-13-12(15-16-19-13)10-17-6-8-18(9-7-17)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeySPBMKFXSJKCSGA-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole (CID 39975318) is 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole is Clc1snnc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole?
The InChIKey is SPBMKFXSJKCSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c14-13-12(15-16-19-13)10-17-6-8-18(9-7-17)11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole?
5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole has a molecular weight of 294.81 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 39975318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).