N-[(4-methylthiadiazol-5-yl)methyl]acetamide

C6H9N3OS — CID 58773016

IUPACN-[(4-methylthiadiazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1snnc1C
InChIInChI=1S/C6H9N3OS/c1-4-6(11-9-8-4)3-7-5(2)10/h3H2,1-2H3,(H,7,10)
InChIKeyDBGHVYBCTBESFJ-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.48
Rot. Bonds2

About N-[(4-methylthiadiazol-5-yl)methyl]acetamide

N-[(4-methylthiadiazol-5-yl)methyl]acetamide (PubChem CID 58773016) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]acetamide
PubChem CID58773016
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1snnc1C
InChIInChI=1S/C6H9N3OS/c1-4-6(11-9-8-4)3-7-5(2)10/h3H2,1-2H3,(H,7,10)
InChIKeyDBGHVYBCTBESFJ-UHFFFAOYSA-N
XLogP0.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]acetamide (CID 58773016) is N-[(4-methylthiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]acetamide is CC(=O)NCc1snnc1C.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The InChIKey is DBGHVYBCTBESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-6(11-9-8-4)3-7-5(2)10/h3H2,1-2H3,(H,7,10).
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
N-[(4-methylthiadiazol-5-yl)methyl]acetamide has a molecular weight of 171.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 58773016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).