N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

C14H20N6O2S2 — CID 91844203

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2CCCCC2c2nc(C)no2)s1
InChIInChI=1S/C14H20N6O2S2/c1-3-23-14-18-17-13(24-14)16-11(21)8-20-7-5-4-6-10(20)12-15-9(2)19-22-12/h10H,3-8H2,1-2H3,(H,16,17,21)
InChIKeyXKXUXSRCMBXRSK-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.51
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 91844203) has the molecular formula C14H20N6O2S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
PubChem CID91844203
Molecular FormulaC14H20N6O2S2
Molecular Weight368.49 g/mol
Exact Mass368.11
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2CCCCC2c2nc(C)no2)s1
InChIInChI=1S/C14H20N6O2S2/c1-3-23-14-18-17-13(24-14)16-11(21)8-20-7-5-4-6-10(20)12-15-9(2)19-22-12/h10H,3-8H2,1-2H3,(H,16,17,21)
InChIKeyXKXUXSRCMBXRSK-UHFFFAOYSA-N
XLogP2.51
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide 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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
CID 125171675
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91836265
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91839248
1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 91831492
(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 124750108
N-(4-ethylsulfanylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118785815
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45250995
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124756426
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
2-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 95136659
trans-(1S,2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753125

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (CID 91844203) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is CCSc1nnc(NC(=O)CN2CCCCC2c2nc(C)no2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is XKXUXSRCMBXRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S2/c1-3-23-14-18-17-13(24-14)16-11(21)8-20-7-5-4-6-10(20)12-15-9(2)19-22-12/h10H,3-8H2,1-2H3,(H,16,17,21).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 368.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 91844203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).