N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine

C7H12N4S — CID 107649099

IUPACN-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine
SMILESCN1CCC(Nc2cnns2)C1
InChIInChI=1S/C7H12N4S/c1-11-3-2-6(5-11)9-7-4-8-10-12-7/h4,6,9H,2-3,5H2,1H3
InChIKeyIUGMJAZDQQWTBB-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.65
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine

N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine (PubChem CID 107649099) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine
PubChem CID107649099
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC NameN-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine
SMILESCN1CCC(Nc2cnns2)C1
InChIInChI=1S/C7H12N4S/c1-11-3-2-6(5-11)9-7-4-8-10-12-7/h4,6,9H,2-3,5H2,1H3
InChIKeyIUGMJAZDQQWTBB-UHFFFAOYSA-N
XLogP0.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine (CID 107649099) is N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine is CN1CCC(Nc2cnns2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine?
The InChIKey is IUGMJAZDQQWTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-11-3-2-6(5-11)9-7-4-8-10-12-7/h4,6,9H,2-3,5H2,1H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine?
N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine has a molecular weight of 184.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)thiadiazol-5-amine is sourced from PubChem (CID 107649099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).