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

C13H13N7O2S2 — CID 3145855

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C13H13N7O2S2/c1-8-15-16-12(24-8)14-11(21)7-23-13-17-18-19-20(13)9-3-5-10(22-2)6-4-9/h3-6H,7H2,1-2H3,(H,14,16,21)
InChIKeyVQBUREUAMXKMHN-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.56
Rot. Bonds6

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

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3145855) has the molecular formula C13H13N7O2S2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3145855
Molecular FormulaC13H13N7O2S2
Molecular Weight363.43 g/mol
Exact Mass363.06
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C13H13N7O2S2/c1-8-15-16-12(24-8)14-11(21)7-23-13-17-18-19-20(13)9-3-5-10(22-2)6-4-9/h3-6H,7H2,1-2H3,(H,14,16,21)
InChIKeyVQBUREUAMXKMHN-UHFFFAOYSA-N
XLogP1.56
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3145855) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VQBUREUAMXKMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S2/c1-8-15-16-12(24-8)14-11(21)7-23-13-17-18-19-20(13)9-3-5-10(22-2)6-4-9/h3-6H,7H2,1-2H3,(H,14,16,21).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 363.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3145855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).