2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide

C13H20N4O2S2 — CID 90652826

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
SMILESNc1nnc(SCC(=O)NC2COC3(CCCCC3)C2)s1
InChIInChI=1S/C13H20N4O2S2/c14-11-16-17-12(21-11)20-8-10(18)15-9-6-13(19-7-9)4-2-1-3-5-13/h9H,1-8H2,(H2,14,16)(H,15,18)
InChIKeyWUCYXTBESWIBIW-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.82
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide (PubChem CID 90652826) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
PubChem CID90652826
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
SMILESNc1nnc(SCC(=O)NC2COC3(CCCCC3)C2)s1
InChIInChI=1S/C13H20N4O2S2/c14-11-16-17-12(21-11)20-8-10(18)15-9-6-13(19-7-9)4-2-1-3-5-13/h9H,1-8H2,(H2,14,16)(H,15,18)
InChIKeyWUCYXTBESWIBIW-UHFFFAOYSA-N
XLogP1.82
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(oxan-4-yl)acetamide
CID 63098005
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 6928693
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 45197507
N-(1-adamantyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1301353
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 978287
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 978286
N-cyclopropyl-2-[[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2513599
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 90647251
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 25376882
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 91843806
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 39063542
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 17402396

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide (CID 90652826) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide is Nc1nnc(SCC(=O)NC2COC3(CCCCC3)C2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is WUCYXTBESWIBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c14-11-16-17-12(21-11)20-8-10(18)15-9-6-13(19-7-9)4-2-1-3-5-13/h9H,1-8H2,(H2,14,16)(H,15,18).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 328.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 90652826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).