N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C15H16N6O3S2 — CID 2087821

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)NCCN2C(=O)CSC2=O)c1
InChIInChI=1S/C15H16N6O3S2/c1-10-3-2-4-11(7-10)21-14(17-18-19-21)25-8-12(22)16-5-6-20-13(23)9-26-15(20)24/h2-4,7H,5-6,8-9H2,1H3,(H,16,22)
InChIKeySFVBGKDUDRANCJ-UHFFFAOYSA-N
MW392.47 g/mol
LogP0.87
Rot. Bonds7

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2087821) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2087821
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)NCCN2C(=O)CSC2=O)c1
InChIInChI=1S/C15H16N6O3S2/c1-10-3-2-4-11(7-10)21-14(17-18-19-21)25-8-12(22)16-5-6-20-13(23)9-26-15(20)24/h2-4,7H,5-6,8-9H2,1H3,(H,16,22)
InChIKeySFVBGKDUDRANCJ-UHFFFAOYSA-N
XLogP0.87
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide 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-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-benzyl-2-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2974484
2-[1-(3-Acetyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 644826
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
2-[1-(2,5-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-methyl-acetamide
CID 857583
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2438178
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 2464794
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethylacetamide
CID 2550708
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2565576

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2087821) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cccc(-n2nnnc2SCC(=O)NCCN2C(=O)CSC2=O)c1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is SFVBGKDUDRANCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c1-10-3-2-4-11(7-10)21-14(17-18-19-21)25-8-12(22)16-5-6-20-13(23)9-26-15(20)24/h2-4,7H,5-6,8-9H2,1H3,(H,16,22).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 392.47 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2087821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).