molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

C15H21N3O2S2 — CID 143854804

IUPACmolecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)C23CC4CC(C2)C(C4)C3)s1.[H][H]
InChIInChI=1S/C15H19N3O2S2.H2/c1-8(19)16-13-17-18-14(22-13)21-7-12(20)15-4-9-2-10(5-15)11(3-9)6-15;/h9-11H,2-7H2,1H3,(H,16,17,19);1H
InChIKeyFXRXNBUYLDPAIW-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.23
Rot. Bonds5

About molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 143854804) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID143854804
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Namemolecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCC(=O)C23CC4CC(C2)C(C4)C3)s1.[H][H]
InChIInChI=1S/C15H19N3O2S2.H2/c1-8(19)16-13-17-18-14(22-13)21-7-12(20)15-4-9-2-10(5-15)11(3-9)6-15;/h9-11H,2-7H2,1H3,(H,16,17,19);1H
InChIKeyFXRXNBUYLDPAIW-UHFFFAOYSA-N
XLogP3.23
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-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

1-(1-adamantyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 18080502
1-(1-adamantyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7754356
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl-dimethylazanium
CID 2481040
N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 3220514
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 2175403
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 71933169
N-[5-[2-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 110656679
N-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 42667055
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 866406
N-[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 42448441
2-[[5-(methoxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone
CID 70969104
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 895541

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide (CID 143854804) is molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(SCC(=O)C23CC4CC(C2)C(C4)C3)s1.[H][H].
What is the InChIKey of molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FXRXNBUYLDPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2.H2/c1-8(19)16-13-17-18-14(22-13)21-7-12(20)15-4-9-2-10(5-15)11(3-9)6-15;/h9-11H,2-7H2,1H3,(H,16,17,19);1H.
What are the key properties of molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide?
molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 339.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[5-[2-oxo-2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 143854804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).