2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

C17H19N5S — CID 167807274

IUPAC2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESc1ccc(-c2cnc(C3CCCN(Cc4nncs4)C3)[nH]2)cc1
InChIInChI=1S/C17H19N5S/c1-2-5-13(6-3-1)15-9-18-17(20-15)14-7-4-8-22(10-14)11-16-21-19-12-23-16/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,20)
InChIKeyGFKYMPLOWROZJQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.31
Rot. Bonds4

About 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 167807274) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID167807274
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESc1ccc(-c2cnc(C3CCCN(Cc4nncs4)C3)[nH]2)cc1
InChIInChI=1S/C17H19N5S/c1-2-5-13(6-3-1)15-9-18-17(20-15)14-7-4-8-22(10-14)11-16-21-19-12-23-16/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,20)
InChIKeyGFKYMPLOWROZJQ-UHFFFAOYSA-N
XLogP3.31
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 97025677
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723
2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 97082927
1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one
CID 10157055
4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
CID 133430774
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133430739
N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
CID 154782534
3,5-difluoro-4-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]benzonitrile
CID 133430705
2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 133401848
5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
CID 67361067
4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one
CID 133430779

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (CID 167807274) is 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is c1ccc(-c2cnc(C3CCCN(Cc4nncs4)C3)[nH]2)cc1.
What is the InChIKey of 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is GFKYMPLOWROZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-2-5-13(6-3-1)15-9-18-17(20-15)14-7-4-8-22(10-14)11-16-21-19-12-23-16/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,20).
What are the key properties of 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 325.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 167807274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).