N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C18H15N7OS2 — CID 3245897

IUPACN-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1
InChIInChI=1S/C18H15N7OS2/c1-12-7-9-13(10-8-12)16-20-17(22-28-16)19-15(26)11-27-18-21-23-24-25(18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,22,26)
InChIKeyFUAPQTIQMIGVKB-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.22
Rot. Bonds6

About N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3245897) has the molecular formula C18H15N7OS2 and a molecular weight of 409.50 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID3245897
Molecular FormulaC18H15N7OS2
Molecular Weight409.50 g/mol
Exact Mass409.08
IUPAC NameN-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1
InChIInChI=1S/C18H15N7OS2/c1-12-7-9-13(10-8-12)16-20-17(22-28-16)19-15(26)11-27-18-21-23-24-25(18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,22,26)
InChIKeyFUAPQTIQMIGVKB-UHFFFAOYSA-N
XLogP3.22
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 3245897) is N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is Cc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FUAPQTIQMIGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7OS2/c1-12-7-9-13(10-8-12)16-20-17(22-28-16)19-15(26)11-27-18-21-23-24-25(18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,22,26).
What are the key properties of N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 409.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3245897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).