N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C8H13N3O2S2 — CID 18076366

IUPACN-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCOCC(C)NC(=O)CSc1nncs1
InChIInChI=1S/C8H13N3O2S2/c1-6(3-13-2)10-7(12)4-14-8-11-9-5-15-8/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyGQWKXNYWFNAXDC-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.78
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 18076366) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID18076366
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC NameN-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCOCC(C)NC(=O)CSc1nncs1
InChIInChI=1S/C8H13N3O2S2/c1-6(3-13-2)10-7(12)4-14-8-11-9-5-15-8/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyGQWKXNYWFNAXDC-UHFFFAOYSA-N
XLogP0.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 18076366) is N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is COCC(C)NC(=O)CSc1nncs1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is GQWKXNYWFNAXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-6(3-13-2)10-7(12)4-14-8-11-9-5-15-8/h5-6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 18076366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).