2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole

C17H22N4S — CID 167788420

IUPAC2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(N3CCC(C4CCCN4)CC3)s2)cc1
InChIInChI=1S/C17H22N4S/c1-2-5-14(6-3-1)16-19-20-17(22-16)21-11-8-13(9-12-21)15-7-4-10-18-15/h1-3,5-6,13,15,18H,4,7-12H2
InChIKeyCEKHMZUSXAYVSA-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.17
Rot. Bonds3

About 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 167788420) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID167788420
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(N3CCC(C4CCCN4)CC3)s2)cc1
InChIInChI=1S/C17H22N4S/c1-2-5-14(6-3-1)16-19-20-17(22-16)21-11-8-13(9-12-21)15-7-4-10-18-15/h1-3,5-6,13,15,18H,4,7-12H2
InChIKeyCEKHMZUSXAYVSA-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204667
3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257105
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
3-methyl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257237
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 72842744
3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
(6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol
CID 164689099
N-[(3-methyl-4-pyridinyl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 72913696
1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 72894851
2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
N-[(3R,4R)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 146042438

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 167788420) is 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole is c1ccc(-c2nnc(N3CCC(C4CCCN4)CC3)s2)cc1.
What is the InChIKey of 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is CEKHMZUSXAYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-2-5-14(6-3-1)16-19-20-17(22-16)21-11-8-13(9-12-21)15-7-4-10-18-15/h1-3,5-6,13,15,18H,4,7-12H2.
What are the key properties of 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 314.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 167788420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).