2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide

C9H12N6O2S3 — CID 2625069

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCn1nnnc1SCC(=O)NCCN1C(=O)CSC1=S
InChIInChI=1S/C9H12N6O2S3/c1-14-8(11-12-13-14)19-4-6(16)10-2-3-15-7(17)5-20-9(15)18/h2-5H2,1H3,(H,10,16)
InChIKeyBYFWEGLMXIEGKK-UHFFFAOYSA-N
MW332.44 g/mol
LogP-0.72
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 2625069) has the molecular formula C9H12N6O2S3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID2625069
Molecular FormulaC9H12N6O2S3
Molecular Weight332.44 g/mol
Exact Mass332.02
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCn1nnnc1SCC(=O)NCCN1C(=O)CSC1=S
InChIInChI=1S/C9H12N6O2S3/c1-14-8(11-12-13-14)19-4-6(16)10-2-3-15-7(17)5-20-9(15)18/h2-5H2,1H3,(H,10,16)
InChIKeyBYFWEGLMXIEGKK-UHFFFAOYSA-N
XLogP-0.72
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
CID 9107088
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2625008
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3428688
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866644
1-[(2S)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 8594511
1-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 8594515
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 8988329
1-[2-(1-Ethyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
CID 16383308
1-[2-(1-Propan-2-yltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
CID 16384062
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]ethyl]acetamide
CID 16525284
2-[ethyl-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 17441142
1-[2-(1-Methyltetrazol-5-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 46515582

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 2625069) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide is Cn1nnnc1SCC(=O)NCCN1C(=O)CSC1=S.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is BYFWEGLMXIEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S3/c1-14-8(11-12-13-14)19-4-6(16)10-2-3-15-7(17)5-20-9(15)18/h2-5H2,1H3,(H,10,16).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of -0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 2625069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).