2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C18H23ClN4S — CID 53326914

IUPAC2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESClc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C18H23ClN4S/c19-16-7-3-2-6-15(16)17-20-21-18(24-17)23-12-8-14(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyKDMRMQQGRFCUEH-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 53326914) has the molecular formula C18H23ClN4S and a molecular weight of 362.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID53326914
Molecular FormulaC18H23ClN4S
Molecular Weight362.93 g/mol
Exact Mass362.13
IUPAC Name2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESClc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C18H23ClN4S/c19-16-7-3-2-6-15(16)17-20-21-18(24-17)23-12-8-14(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyKDMRMQQGRFCUEH-UHFFFAOYSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 53326914) is 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is Clc1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is KDMRMQQGRFCUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4S/c19-16-7-3-2-6-15(16)17-20-21-18(24-17)23-12-8-14(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,14H,1,4-5,8-13H2.
What are the key properties of 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 362.93 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 53326914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).