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

C14H13N5O3S2 — CID 3165868

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(-c3ccccc3O)o2)s1
InChIInChI=1S/C14H13N5O3S2/c1-2-11-16-18-13(24-11)15-10(21)7-23-14-19-17-12(22-14)8-5-3-4-6-9(8)20/h3-6,20H,2,7H2,1H3,(H,15,18,21)
InChIKeyBONHOFLKUDIPTP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.59
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3165868) has the molecular formula C14H13N5O3S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3165868
Molecular FormulaC14H13N5O3S2
Molecular Weight363.42 g/mol
Exact Mass363.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(-c3ccccc3O)o2)s1
InChIInChI=1S/C14H13N5O3S2/c1-2-11-16-18-13(24-11)15-10(21)7-23-14-19-17-12(22-14)8-5-3-4-6-9(8)20/h3-6,20H,2,7H2,1H3,(H,15,18,21)
InChIKeyBONHOFLKUDIPTP-UHFFFAOYSA-N
XLogP2.59
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.59
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-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3165868) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3O)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BONHOFLKUDIPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S2/c1-2-11-16-18-13(24-11)15-10(21)7-23-14-19-17-12(22-14)8-5-3-4-6-9(8)20/h3-6,20H,2,7H2,1H3,(H,15,18,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.59, 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-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3165868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).