5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole

C7H11N3S — CID 130635083

IUPAC5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole
SMILESCC1CCCN1c1ncns1
InChIInChI=1S/C7H11N3S/c1-6-3-2-4-10(6)7-8-5-9-11-7/h5-6H,2-4H2,1H3
InChIKeyKECRCDKGXCFEDV-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.53
Rot. Bonds1

About 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole

5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole (PubChem CID 130635083) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole
PubChem CID130635083
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole
SMILESCC1CCCN1c1ncns1
InChIInChI=1S/C7H11N3S/c1-6-3-2-4-10(6)7-8-5-9-11-7/h5-6H,2-4H2,1H3
InChIKeyKECRCDKGXCFEDV-UHFFFAOYSA-N
XLogP1.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole (CID 130635083) is 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole is CC1CCCN1c1ncns1.
What is the InChIKey of 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is KECRCDKGXCFEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-6-3-2-4-10(6)7-8-5-9-11-7/h5-6H,2-4H2,1H3.
What are the key properties of 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole?
5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 169.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 130635083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).