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

C11H18N4OS2 — CID 9378351

IUPACN-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC1CN(CCSc2nnc(NC3CC3)s2)CCO1
InChIInChI=1S/C11H18N4OS2/c1-2-9(1)12-10-13-14-11(18-10)17-8-5-15-3-6-16-7-4-15/h9H,1-8H2,(H,12,13)
InChIKeyYUTQVXPQNPIHSD-UHFFFAOYSA-N
MW286.43 g/mol
LogP1.54
Rot. Bonds6

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

N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 9378351) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID9378351
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC NameN-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC1CN(CCSc2nnc(NC3CC3)s2)CCO1
InChIInChI=1S/C11H18N4OS2/c1-2-9(1)12-10-13-14-11(18-10)17-8-5-15-3-6-16-7-4-15/h9H,1-8H2,(H,12,13)
InChIKeyYUTQVXPQNPIHSD-UHFFFAOYSA-N
XLogP1.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 9378351) is N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine is C1CN(CCSc2nnc(NC3CC3)s2)CCO1.
What is the InChIKey of N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YUTQVXPQNPIHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-2-9(1)12-10-13-14-11(18-10)17-8-5-15-3-6-16-7-4-15/h9H,1-8H2,(H,12,13).
What are the key properties of N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 286.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9378351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).