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

C18H23ClN4S — CID 58430672

IUPAC3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESClc1ccccc1-c1nsc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C18H23ClN4S/c19-16-7-3-2-6-15(16)17-20-18(24-21-17)23-12-8-14(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyHRWMGLXLJBHHQX-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.31
Rot. Bonds3

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

3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 58430672) has the molecular formula C18H23ClN4S and a molecular weight of 362.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID58430672
Molecular FormulaC18H23ClN4S
Molecular Weight362.93 g/mol
Exact Mass362.13
IUPAC Name3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole
SMILESClc1ccccc1-c1nsc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C18H23ClN4S/c19-16-7-3-2-6-15(16)17-20-18(24-21-17)23-12-8-14(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyHRWMGLXLJBHHQX-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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Related Compounds

3-(2-methylsulfonylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58430591
2-chloro-6-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 63587650
[1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone
CID 167993087
1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 123480114
4-(2-chlorophenyl)-2-methyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667827
6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 46245061
3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 166600645
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
5-(chloromethyl)-3-(2-chlorophenyl)-1,2,4-thiadiazole
CID 15133747
1-(2,6-dichlorophenyl)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 58430784
2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377639
1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one
CID 133451493

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole (CID 58430672) is 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole is Clc1ccccc1-c1nsc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is HRWMGLXLJBHHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4S/c19-16-7-3-2-6-15(16)17-20-18(24-21-17)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 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole?
3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-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 3-(2-chlorophenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 58430672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).