2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

C14H20N6OS2 — CID 91790715

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nccn1CC1CCN(C(=O)CSc2nnc(N)s2)CC1
InChIInChI=1S/C14H20N6OS2/c1-10-16-4-7-20(10)8-11-2-5-19(6-3-11)12(21)9-22-14-18-17-13(15)23-14/h4,7,11H,2-3,5-6,8-9H2,1H3,(H2,15,17)
InChIKeyHOTNDRQELJUIBR-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.66
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 91790715) has the molecular formula C14H20N6OS2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID91790715
Molecular FormulaC14H20N6OS2
Molecular Weight352.49 g/mol
Exact Mass352.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nccn1CC1CCN(C(=O)CSc2nnc(N)s2)CC1
InChIInChI=1S/C14H20N6OS2/c1-10-16-4-7-20(10)8-11-2-5-19(6-3-11)12(21)9-22-14-18-17-13(15)23-14/h4,7,11H,2-3,5-6,8-9H2,1H3,(H2,15,17)
InChIKeyHOTNDRQELJUIBR-UHFFFAOYSA-N
XLogP1.66
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 91790715) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is Cc1nccn1CC1CCN(C(=O)CSc2nnc(N)s2)CC1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is HOTNDRQELJUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS2/c1-10-16-4-7-20(10)8-11-2-5-19(6-3-11)12(21)9-22-14-18-17-13(15)23-14/h4,7,11H,2-3,5-6,8-9H2,1H3,(H2,15,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 352.49 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91790715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).