N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide

C15H16N8O2S — CID 50964184

IUPACN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide
SMILESO=C(CNc1ccccc1-c1nn[nH]n1)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C15H16N8O2S/c24-12(17-15-21-20-14(26-15)11-6-3-7-25-11)8-16-10-5-2-1-4-9(10)13-18-22-23-19-13/h1-2,4-5,11,16H,3,6-8H2,(H,17,21,24)(H,18,19,22,23)
InChIKeyXIHQFMXLFPEZME-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.62
Rot. Bonds6

About N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide

N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide (PubChem CID 50964184) has the molecular formula C15H16N8O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide
PubChem CID50964184
Molecular FormulaC15H16N8O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide
SMILESO=C(CNc1ccccc1-c1nn[nH]n1)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C15H16N8O2S/c24-12(17-15-21-20-14(26-15)11-6-3-7-25-11)8-16-10-5-2-1-4-9(10)13-18-22-23-19-13/h1-2,4-5,11,16H,3,6-8H2,(H,17,21,24)(H,18,19,22,23)
InChIKeyXIHQFMXLFPEZME-UHFFFAOYSA-N
XLogP1.62
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide (CID 50964184) is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide is O=C(CNc1ccccc1-c1nn[nH]n1)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide?
The InChIKey is XIHQFMXLFPEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2S/c24-12(17-15-21-20-14(26-15)11-6-3-7-25-11)8-16-10-5-2-1-4-9(10)13-18-22-23-19-13/h1-2,4-5,11,16H,3,6-8H2,(H,17,21,24)(H,18,19,22,23).
What are the key properties of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide?
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide has a molecular weight of 372.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(2H-tetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 50964184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).