5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine

C13H18N4OS — CID 72887902

IUPAC5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCc1nc(CCCNc2nnc(C3CC3)o2)sc1C
InChIInChI=1S/C13H18N4OS/c1-8-9(2)19-11(15-8)4-3-7-14-13-17-16-12(18-13)10-5-6-10/h10H,3-7H2,1-2H3,(H,14,17)
InChIKeyUYYIMTZLAICBGW-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.07
Rot. Bonds6

About 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72887902) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine
PubChem CID72887902
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCc1nc(CCCNc2nnc(C3CC3)o2)sc1C
InChIInChI=1S/C13H18N4OS/c1-8-9(2)19-11(15-8)4-3-7-14-13-17-16-12(18-13)10-5-6-10/h10H,3-7H2,1-2H3,(H,14,17)
InChIKeyUYYIMTZLAICBGW-UHFFFAOYSA-N
XLogP3.07
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine (CID 72887902) is 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine is Cc1nc(CCCNc2nnc(C3CC3)o2)sc1C.
What is the InChIKey of 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UYYIMTZLAICBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-9(2)19-11(15-8)4-3-7-14-13-17-16-12(18-13)10-5-6-10/h10H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72887902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).