3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole

C4H5N3OS — CID 54327379

IUPAC3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CN=O)n1
InChIInChI=1S/C4H5N3OS/c1-3-6-4(2-5-8)9-7-3/h2H2,1H3
InChIKeySVXDDRLUPQMLTP-UHFFFAOYSA-N
MW143.17 g/mol
LogP1.11
Rot. Bonds2

About 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole

3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole (PubChem CID 54327379) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole
PubChem CID54327379
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC Name3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole
SMILESCc1nsc(CN=O)n1
InChIInChI=1S/C4H5N3OS/c1-3-6-4(2-5-8)9-7-3/h2H2,1H3
InChIKeySVXDDRLUPQMLTP-UHFFFAOYSA-N
XLogP1.11
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole (CID 54327379) is 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole is Cc1nsc(CN=O)n1.
What is the InChIKey of 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole?
The InChIKey is SVXDDRLUPQMLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS/c1-3-6-4(2-5-8)9-7-3/h2H2,1H3.
What are the key properties of 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole?
3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole has a molecular weight of 143.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(nitrosomethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 54327379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).