N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine

C11H18N4S2 — CID 9378348

IUPACN-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC1CCN(CCSc2nnc(NC3CC3)s2)C1
InChIInChI=1S/C11H18N4S2/c1-2-6-15(5-1)7-8-16-11-14-13-10(17-11)12-9-3-4-9/h9H,1-8H2,(H,12,13)
InChIKeyKXWCJJVFVXOLNX-UHFFFAOYSA-N
MW270.43 g/mol
LogP2.30
Rot. Bonds6

About N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 9378348) has the molecular formula C11H18N4S2 and a molecular weight of 270.43 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID9378348
Molecular FormulaC11H18N4S2
Molecular Weight270.43 g/mol
Exact Mass270.10
IUPAC NameN-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC1CCN(CCSc2nnc(NC3CC3)s2)C1
InChIInChI=1S/C11H18N4S2/c1-2-6-15(5-1)7-8-16-11-14-13-10(17-11)12-9-3-4-9/h9H,1-8H2,(H,12,13)
InChIKeyKXWCJJVFVXOLNX-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 9378348) is N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine is C1CCN(CCSc2nnc(NC3CC3)s2)C1.
What is the InChIKey of N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KXWCJJVFVXOLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S2/c1-2-6-15(5-1)7-8-16-11-14-13-10(17-11)12-9-3-4-9/h9H,1-8H2,(H,12,13).
What are the key properties of N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 270.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9378348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).