(3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone

C8H11N3OS — CID 71807109

IUPAC(3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nsc(C(=O)N2CCCC2)n1
InChIInChI=1S/C8H11N3OS/c1-6-9-7(13-10-6)8(12)11-4-2-3-5-11/h2-5H2,1H3
InChIKeyZXANLPFOJLWWKS-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.08
Rot. Bonds1

About (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone

(3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 71807109) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID71807109
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name(3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nsc(C(=O)N2CCCC2)n1
InChIInChI=1S/C8H11N3OS/c1-6-9-7(13-10-6)8(12)11-4-2-3-5-11/h2-5H2,1H3
InChIKeyZXANLPFOJLWWKS-UHFFFAOYSA-N
XLogP1.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone (CID 71807109) is (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone is Cc1nsc(C(=O)N2CCCC2)n1.
What is the InChIKey of (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ZXANLPFOJLWWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-6-9-7(13-10-6)8(12)11-4-2-3-5-11/h2-5H2,1H3.
What are the key properties of (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone?
(3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 197.26 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-thiadiazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71807109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).