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

C13H17N5O2S3 — CID 9459011

IUPACN-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2nnc(SC3CCCCC3)s2)o1
InChIInChI=1S/C13H17N5O2S3/c1-8-15-17-12(20-8)21-7-10(19)14-11-16-18-13(23-11)22-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,16,19)
InChIKeyRZTOWXXCUJGQHP-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.39
Rot. Bonds6

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

N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 9459011) has the molecular formula C13H17N5O2S3 and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID9459011
Molecular FormulaC13H17N5O2S3
Molecular Weight371.51 g/mol
Exact Mass371.05
IUPAC NameN-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2nnc(SC3CCCCC3)s2)o1
InChIInChI=1S/C13H17N5O2S3/c1-8-15-17-12(20-8)21-7-10(19)14-11-16-18-13(23-11)22-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,16,19)
InChIKeyRZTOWXXCUJGQHP-UHFFFAOYSA-N
XLogP3.39
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.39
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-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]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

1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 115576325
1-tert-butyl-3-(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 7587215
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 39063542
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 51432520
2-[(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 60617672
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 71933169
N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 18561189
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9458753
N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
CID 1470452
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 43952665
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9458767
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3889839

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 9459011) is N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2nnc(SC3CCCCC3)s2)o1.
What is the InChIKey of N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RZTOWXXCUJGQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S3/c1-8-15-17-12(20-8)21-7-10(19)14-11-16-18-13(23-11)22-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,16,19).
What are the key properties of N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9459011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).