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

C16H23N5O2S2 — CID 72919239

IUPAC1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCOCCn1ccnc1C1CCN(C(=O)CSc2nnc(C)s2)CC1
InChIInChI=1S/C16H23N5O2S2/c1-12-18-19-16(25-12)24-11-14(22)20-6-3-13(4-7-20)15-17-5-8-21(15)9-10-23-2/h5,8,13H,3-4,6-7,9-11H2,1-2H3
InChIKeyPZAJOANYJGSSOU-UHFFFAOYSA-N
MW381.53 g/mol
LogP2.19
Rot. Bonds7

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

1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 72919239) has the molecular formula C16H23N5O2S2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID72919239
Molecular FormulaC16H23N5O2S2
Molecular Weight381.53 g/mol
Exact Mass381.13
IUPAC Name1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCOCCn1ccnc1C1CCN(C(=O)CSc2nnc(C)s2)CC1
InChIInChI=1S/C16H23N5O2S2/c1-12-18-19-16(25-12)24-11-14(22)20-6-3-13(4-7-20)15-17-5-8-21(15)9-10-23-2/h5,8,13H,3-4,6-7,9-11H2,1-2H3
InChIKeyPZAJOANYJGSSOU-UHFFFAOYSA-N
XLogP2.19
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72852648
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72914097
4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(propoxyacetyl)piperidine
CID 72938755
N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-propylacetamide
CID 46983282
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(methoxyacetyl)piperidine
CID 72868233
5-[(2-{4-[(2-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}-2-oxoethyl)thio]-1,3,4-thiadiazol-2-amine
CID 91790715
3-(2-ethyl-1H-imidazol-1-yl)-N-({1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl}methyl)propanamide
CID 131932994
3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl}piperidine
CID 70734464
4-(1-methyl-1H-imidazol-2-yl)-1-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}piperidine
CID 70788555
2-[2-(1-{[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl}piperidin-4-yl)-1H-imidazol-1-yl]acetamide
CID 72844025
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(isopropoxyacetyl)piperidine
CID 72844235
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[(isopropylthio)acetyl]piperidine
CID 72845599

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 72919239) is 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is COCCn1ccnc1C1CCN(C(=O)CSc2nnc(C)s2)CC1.
What is the InChIKey of 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is PZAJOANYJGSSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S2/c1-12-18-19-16(25-12)24-11-14(22)20-6-3-13(4-7-20)15-17-5-8-21(15)9-10-23-2/h5,8,13H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 381.53 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 72919239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).