4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole

C12H17N5O2S2 — CID 110237156

IUPAC4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole
SMILESCS(=O)(=O)c1snnc1C1CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C12H17N5O2S2/c1-21(18,19)12-11(15-16-20-12)9-3-2-6-17(7-9)8-10-13-4-5-14-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyRFILROUYJAMUQM-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.04
Rot. Bonds4

About 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole

4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole (PubChem CID 110237156) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole.

Molecular Properties

Compound Name4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole
PubChem CID110237156
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole
SMILESCS(=O)(=O)c1snnc1C1CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C12H17N5O2S2/c1-21(18,19)12-11(15-16-20-12)9-3-2-6-17(7-9)8-10-13-4-5-14-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyRFILROUYJAMUQM-UHFFFAOYSA-N
XLogP1.04
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
CID 110237132
2-[[3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 110237125
5-[4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 95856203
4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 92606708
4-[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
CID 92606840
5-methylsulfonyl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]thiadiazole
CID 92595001
2-methoxy-4-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 92594217
[5-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]furan-2-yl]methyl acetate
CID 95856182
2-methoxy-5-[[(3S)-3-(5-methylsulfonylthiadiazol-4-yl)piperidin-1-yl]methyl]phenol
CID 92597550
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 125012175
5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217770

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole?
The IUPAC name of 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole (CID 110237156) is 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole.
What is the SMILES notation for 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole?
The canonical SMILES for 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole is CS(=O)(=O)c1snnc1C1CCCN(Cc2ncc[nH]2)C1.
What is the InChIKey of 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole?
The InChIKey is RFILROUYJAMUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-21(18,19)12-11(15-16-20-12)9-3-2-6-17(7-9)8-10-13-4-5-14-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,14).
What are the key properties of 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole?
4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole has a molecular weight of 327.44 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-5-methylsulfonylthiadiazole is sourced from PubChem (CID 110237156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).