5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H14N4OS2 — CID 126830146

IUPAC5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2cnc(C3CC3)o2)s1
InChIInChI=1S/C11H14N4OS2/c1-15(2)10-13-14-11(18-10)17-6-8-5-12-9(16-8)7-3-4-7/h5,7H,3-4,6H2,1-2H3
InChIKeyNOSXMZZDIFENDL-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.76
Rot. Bonds5

About 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 126830146) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID126830146
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2cnc(C3CC3)o2)s1
InChIInChI=1S/C11H14N4OS2/c1-15(2)10-13-14-11(18-10)17-6-8-5-12-9(16-8)7-3-4-7/h5,7H,3-4,6H2,1-2H3
InChIKeyNOSXMZZDIFENDL-UHFFFAOYSA-N
XLogP2.76
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 126830146) is 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCc2cnc(C3CC3)o2)s1.
What is the InChIKey of 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NOSXMZZDIFENDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-15(2)10-13-14-11(18-10)17-6-8-5-12-9(16-8)7-3-4-7/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126830146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).