2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole

C18H24N4OS — CID 53325778

IUPAC2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)s2)cc1
InChIInChI=1S/C18H24N4OS/c1-23-16-8-6-14(7-9-16)17-19-20-18(24-17)22-12-10-21(11-13-22)15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3
InChIKeyVYLFZOCEMUZXLW-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole

2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole (PubChem CID 53325778) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
PubChem CID53325778
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)s2)cc1
InChIInChI=1S/C18H24N4OS/c1-23-16-8-6-14(7-9-16)17-19-20-18(24-17)22-12-10-21(11-13-22)15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3
InChIKeyVYLFZOCEMUZXLW-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methoxyphenyl)-5-(4-(pyrrolidin-1-yl)piperidin-1-yl)-1,3,4-thiadiazole
CID 45377353
2-(1,4''-Bipiperidin-1''-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53317859
2-(1,4''-Bipiperidin-1''-yl)-5-(3-methoxyphenyl)-1,3,4-thiadiazole
CID 53318961
2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53320490
2-(1,4''-Bipiperidin-1''-yl)-5-(2-methoxyphenyl)-1,3,4-thiadiazole
CID 53323112
2-(4-Ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53324466
2-(3,5-Dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53320489
3-Methoxy-5-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 53323110
2-(3-Fluoro-5-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53325777
N-[5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-N-methyl-butyramide
CID 655904
Piperidine, 1-[2-[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]ethyl]-
CID 3074470
2-(2,5-Dimethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazole
CID 118728531

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole (CID 53325778) is 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole is COc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)s2)cc1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The InChIKey is VYLFZOCEMUZXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-23-16-8-6-14(7-9-16)17-19-20-18(24-17)22-12-10-21(11-13-22)15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole has a molecular weight of 344.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 53325778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).