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

C10H11N3O2S2 — CID 890992

IUPACN-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCc2ccco2)s1
InChIInChI=1S/C10H11N3O2S2/c1-7-12-13-10(17-7)16-6-9(14)11-5-8-3-2-4-15-8/h2-4H,5-6H2,1H3,(H,11,14)
InChIKeyJRQRWPJOMNDGGX-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.85
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 890992) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID890992
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCc2ccco2)s1
InChIInChI=1S/C10H11N3O2S2/c1-7-12-13-10(17-7)16-6-9(14)11-5-8-3-2-4-15-8/h2-4H,5-6H2,1H3,(H,11,14)
InChIKeyJRQRWPJOMNDGGX-UHFFFAOYSA-N
XLogP1.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 890992) is N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCc2ccco2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JRQRWPJOMNDGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-12-13-10(17-7)16-6-9(14)11-5-8-3-2-4-15-8/h2-4H,5-6H2,1H3,(H,11,14).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 890992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).