3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine

C13H20N4S — CID 65271457

IUPAC3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESC1CN(C2CC2)CC1CNc1nc(C2CC2)ns1
InChIInChI=1S/C13H20N4S/c1-2-10(1)12-15-13(18-16-12)14-7-9-5-6-17(8-9)11-3-4-11/h9-11H,1-8H2,(H,14,15,16)
InChIKeySIRBUWXZEUTGKE-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.31
Rot. Bonds5

About 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271457) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271457
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESC1CN(C2CC2)CC1CNc1nc(C2CC2)ns1
InChIInChI=1S/C13H20N4S/c1-2-10(1)12-15-13(18-16-12)14-7-9-5-6-17(8-9)11-3-4-11/h9-11H,1-8H2,(H,14,15,16)
InChIKeySIRBUWXZEUTGKE-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271457) is 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is C1CN(C2CC2)CC1CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SIRBUWXZEUTGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-10(1)12-15-13(18-16-12)14-7-9-5-6-17(8-9)11-3-4-11/h9-11H,1-8H2,(H,14,15,16).
What are the key properties of 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 264.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).