N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C15H16N6O2S2 — CID 3168323

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)s1
InChIInChI=1S/C15H16N6O2S2/c1-3-12-17-19-14(25-12)16-11(23)8-24-15-20-18-13(21(15)2)9-4-6-10(22)7-5-9/h4-7,22H,3,8H2,1-2H3,(H,16,19,23)
InChIKeyMXXVLZIUKWFNGS-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.33
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 3168323) has the molecular formula C15H16N6O2S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID3168323
Molecular FormulaC15H16N6O2S2
Molecular Weight376.47 g/mol
Exact Mass376.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)s1
InChIInChI=1S/C15H16N6O2S2/c1-3-12-17-19-14(25-12)16-11(23)8-24-15-20-18-13(21(15)2)9-4-6-10(22)7-5-9/h4-7,22H,3,8H2,1-2H3,(H,16,19,23)
InChIKeyMXXVLZIUKWFNGS-UHFFFAOYSA-N
XLogP2.33
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 3168323) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is MXXVLZIUKWFNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S2/c1-3-12-17-19-14(25-12)16-11(23)8-24-15-20-18-13(21(15)2)9-4-6-10(22)7-5-9/h4-7,22H,3,8H2,1-2H3,(H,16,19,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 376.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 3168323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).