N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide

C9H8N4O3S2 — CID 41478237

IUPACN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
SMILESNc1nnc(SCC(=O)NC(=O)c2ccco2)s1
InChIInChI=1S/C9H8N4O3S2/c10-8-12-13-9(18-8)17-4-6(14)11-7(15)5-2-1-3-16-5/h1-3H,4H2,(H2,10,12)(H,11,14,15)
InChIKeyZOSLTVNGUQVIQU-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.76
Rot. Bonds4

About N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide (PubChem CID 41478237) has the molecular formula C9H8N4O3S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
PubChem CID41478237
Molecular FormulaC9H8N4O3S2
Molecular Weight284.32 g/mol
Exact Mass284.00
IUPAC NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
SMILESNc1nnc(SCC(=O)NC(=O)c2ccco2)s1
InChIInChI=1S/C9H8N4O3S2/c10-8-12-13-9(18-8)17-4-6(14)11-7(15)5-2-1-3-16-5/h1-3H,4H2,(H2,10,12)(H,11,14,15)
InChIKeyZOSLTVNGUQVIQU-UHFFFAOYSA-N
XLogP0.76
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide
CID 17460426
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-oxazol-3-yl)acetamide
CID 16595927
N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]furan-2-carboxamide
CID 43303059
N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
CID 79533862
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]furan-2-carboxamide
CID 43304156
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
N-[2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carboxamide
CID 65299602
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43169841
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104
N-[2-(2-amino-5-methoxyphenyl)sulfanylacetyl]furan-2-carboxamide
CID 79516080
2-[2-(furan-2-carbonylamino)-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300668
N'-[2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 8674171

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide (CID 41478237) is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide is Nc1nnc(SCC(=O)NC(=O)c2ccco2)s1.
What is the InChIKey of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide?
The InChIKey is ZOSLTVNGUQVIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3S2/c10-8-12-13-9(18-8)17-4-6(14)11-7(15)5-2-1-3-16-5/h1-3H,4H2,(H2,10,12)(H,11,14,15).
What are the key properties of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide?
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide is sourced from PubChem (CID 41478237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).