5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole

C19H23N5S — CID 96579700

IUPAC5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole
SMILESCc1nnsc1CN1CCC[C@H](c2nccn2Cc2ccccc2)C1
InChIInChI=1S/C19H23N5S/c1-15-18(25-22-21-15)14-23-10-5-8-17(13-23)19-20-9-11-24(19)12-16-6-3-2-4-7-16/h2-4,6-7,9,11,17H,5,8,10,12-14H2,1H3/t17-/m0/s1
InChIKeySPOQAZXVDYIFCW-KRWDZBQOSA-N
MW353.50 g/mol
LogP3.47
Rot. Bonds5

About 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole

5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole (PubChem CID 96579700) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole
PubChem CID96579700
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole
SMILESCc1nnsc1CN1CCC[C@H](c2nccn2Cc2ccccc2)C1
InChIInChI=1S/C19H23N5S/c1-15-18(25-22-21-15)14-23-10-5-8-17(13-23)19-20-9-11-24(19)12-16-6-3-2-4-7-16/h2-4,6-7,9,11,17H,5,8,10,12-14H2,1H3/t17-/m0/s1
InChIKeySPOQAZXVDYIFCW-KRWDZBQOSA-N
XLogP3.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 70766458
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 70734472
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
4-methyl-5-[[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]thiadiazole
CID 97207806
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022
3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-(2-phenylethyl)piperidine
CID 72924066
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 70750234
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 96578463
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole?
The IUPAC name of 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole (CID 96579700) is 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole.
What is the SMILES notation for 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole?
The canonical SMILES for 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole is Cc1nnsc1CN1CCC[C@H](c2nccn2Cc2ccccc2)C1.
What is the InChIKey of 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole?
The InChIKey is SPOQAZXVDYIFCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5S/c1-15-18(25-22-21-15)14-23-10-5-8-17(13-23)19-20-9-11-24(19)12-16-6-3-2-4-7-16/h2-4,6-7,9,11,17H,5,8,10,12-14H2,1H3/t17-/m0/s1.
What are the key properties of 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole?
5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole has a molecular weight of 353.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methylthiadiazole is sourced from PubChem (CID 96579700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).