2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide

C14H19N7O2S2 — CID 72844025

IUPAC2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(C(=O)CSc2nnc(N)s2)CC1
InChIInChI=1S/C14H19N7O2S2/c15-10(22)7-21-6-3-17-12(21)9-1-4-20(5-2-9)11(23)8-24-14-19-18-13(16)25-14/h3,6,9H,1-2,4-5,7-8H2,(H2,15,22)(H2,16,18)
InChIKeyHINTUOQUDWDYPG-UHFFFAOYSA-N
MW381.49 g/mol
LogP0.30
Rot. Bonds6

About 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72844025) has the molecular formula C14H19N7O2S2 and a molecular weight of 381.49 g/mol. Its IUPAC name is 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72844025
Molecular FormulaC14H19N7O2S2
Molecular Weight381.49 g/mol
Exact Mass381.10
IUPAC Name2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(C(=O)CSc2nnc(N)s2)CC1
InChIInChI=1S/C14H19N7O2S2/c15-10(22)7-21-6-3-17-12(21)9-1-4-20(5-2-9)11(23)8-24-14-19-18-13(16)25-14/h3,6,9H,1-2,4-5,7-8H2,(H2,15,22)(H2,16,18)
InChIKeyHINTUOQUDWDYPG-UHFFFAOYSA-N
XLogP0.30
TPSA133.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}piperidine
CID 72919239
5-[(2-{4-[(2-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-amine
CID 91790715
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[1-(1H-imidazol-1-ylmethyl)-2-methylpropyl]acetamide
CID 46982936
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-({1-[(2-ethyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)acetamide
CID 46993442
4-(1-methyl-1H-imidazol-2-yl)-1-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}piperidine
CID 70788555
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[(isopropylthio)acetyl]piperidine
CID 72845599
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}piperidine
CID 72847697
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[(methylthio)acetyl]piperidine
CID 72850696
3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-[(methylthio)acetyl]piperidine
CID 72859800
2-(4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)acetamide
CID 72860418
4-(1-butyl-1H-imidazol-2-yl)-1-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}piperidine
CID 72869438
N,N-dimethyl-2-[2-(1-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}piperidin-3-yl)-1H-imidazol-1-yl]ethanamine
CID 72878593

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide (CID 72844025) is 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1C1CCN(C(=O)CSc2nnc(N)s2)CC1.
What is the InChIKey of 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is HINTUOQUDWDYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2S2/c15-10(22)7-21-6-3-17-12(21)9-1-4-20(5-2-9)11(23)8-24-14-19-18-13(16)25-14/h3,6,9H,1-2,4-5,7-8H2,(H2,15,22)(H2,16,18).
What are the key properties of 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 381.49 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72844025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).