2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole

C19H24ClN3OS — CID 133493646

IUPAC2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole
SMILESClc1ccc(Cc2nnc(N3CCC(OC4CCCC4)CC3)s2)cc1
InChIInChI=1S/C19H24ClN3OS/c20-15-7-5-14(6-8-15)13-18-21-22-19(25-18)23-11-9-17(10-12-23)24-16-3-1-2-4-16/h5-8,16-17H,1-4,9-13H2
InChIKeyZLKVKVHJDJEUJR-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.71
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole

2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 133493646) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID133493646
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole
SMILESClc1ccc(Cc2nnc(N3CCC(OC4CCCC4)CC3)s2)cc1
InChIInChI=1S/C19H24ClN3OS/c20-15-7-5-14(6-8-15)13-18-21-22-19(25-18)23-11-9-17(10-12-23)24-16-3-1-2-4-16/h5-8,16-17H,1-4,9-13H2
InChIKeyZLKVKVHJDJEUJR-UHFFFAOYSA-N
XLogP4.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methyl]-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 133494277
2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole
CID 133494666
2-[(4-chlorophenyl)methyl]-5-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133493700
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
2-[5-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 133493703
9-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 133494955
2-[(4-fluorophenyl)methyl]-5-(4-methylazepan-1-yl)-1,3,4-thiadiazole
CID 133456989
1-[1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]propan-2-ol
CID 133495167
2-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 133456570
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122106561
[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 133466002
2-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133494818

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole (CID 133493646) is 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole is Clc1ccc(Cc2nnc(N3CCC(OC4CCCC4)CC3)s2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is ZLKVKVHJDJEUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c20-15-7-5-14(6-8-15)13-18-21-22-19(25-18)23-11-9-17(10-12-23)24-16-3-1-2-4-16/h5-8,16-17H,1-4,9-13H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole?
2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 377.94 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-(4-cyclopentyloxypiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 133493646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).