5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine

C9H16N4S — CID 65208100

IUPAC5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2CCNC2)s1
InChIInChI=1S/C9H16N4S/c1-7-12-13-9(14-7)11-5-3-8-2-4-10-6-8/h8,10H,2-6H2,1H3,(H,11,13)
InChIKeyHWYBLNMJXPMQQS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.26
Rot. Bonds4

About 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 65208100) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID65208100
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2CCNC2)s1
InChIInChI=1S/C9H16N4S/c1-7-12-13-9(14-7)11-5-3-8-2-4-10-6-8/h8,10H,2-6H2,1H3,(H,11,13)
InChIKeyHWYBLNMJXPMQQS-UHFFFAOYSA-N
XLogP1.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine (CID 65208100) is 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCC2CCNC2)s1.
What is the InChIKey of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HWYBLNMJXPMQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-12-13-9(14-7)11-5-3-8-2-4-10-6-8/h8,10H,2-6H2,1H3,(H,11,13).
What are the key properties of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).