2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C18H15N7OS2 — CID 9458997

IUPAC2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H15N7OS2/c1-12-7-9-14(10-8-12)25-18(22-23-24-25)27-11-15(26)19-17-21-20-16(28-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21,26)
InChIKeyCMBBTJMDFWUVGQ-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.22
Rot. Bonds6

About 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 9458997) has the molecular formula C18H15N7OS2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID9458997
Molecular FormulaC18H15N7OS2
Molecular Weight409.50 g/mol
Exact Mass409.08
IUPAC Name2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H15N7OS2/c1-12-7-9-14(10-8-12)25-18(22-23-24-25)27-11-15(26)19-17-21-20-16(28-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21,26)
InChIKeyCMBBTJMDFWUVGQ-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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Related Compounds

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 18874241
2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 1405224
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1250062
N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615701
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
methyl 4-[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 3189409
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 2685083

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 9458997) is 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CMBBTJMDFWUVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7OS2/c1-12-7-9-14(10-8-12)25-18(22-23-24-25)27-11-15(26)19-17-21-20-16(28-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21,26).
What are the key properties of 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide 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 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 9458997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).