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

C12H11N5O3S2 — CID 3147353

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(-c3ccco3)o2)s1
InChIInChI=1S/C12H11N5O3S2/c1-2-9-14-16-11(22-9)13-8(18)6-21-12-17-15-10(20-12)7-4-3-5-19-7/h3-5H,2,6H2,1H3,(H,13,16,18)
InChIKeyBKPVPSCZOGXMGO-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.47
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3147353) has the molecular formula C12H11N5O3S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3147353
Molecular FormulaC12H11N5O3S2
Molecular Weight337.39 g/mol
Exact Mass337.03
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nnc(-c3ccco3)o2)s1
InChIInChI=1S/C12H11N5O3S2/c1-2-9-14-16-11(22-9)13-8(18)6-21-12-17-15-10(20-12)7-4-3-5-19-7/h3-5H,2,6H2,1H3,(H,13,16,18)
InChIKeyBKPVPSCZOGXMGO-UHFFFAOYSA-N
XLogP2.47
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
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-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3147353) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-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-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BKPVPSCZOGXMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S2/c1-2-9-14-16-11(22-9)13-8(18)6-21-12-17-15-10(20-12)7-4-3-5-19-7/h3-5H,2,6H2,1H3,(H,13,16,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 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-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3147353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).