4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine

C10H11N7OS — CID 80661509

IUPAC4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3cn[nH]n3)no2)cs1
InChIInChI=1S/C10H11N7OS/c11-10-13-6(5-19-10)2-1-3-8-14-9(16-18-8)7-4-12-17-15-7/h4-5H,1-3H2,(H2,11,13)(H,12,15,17)
InChIKeyDCUDQJRYOHHSIP-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.07
Rot. Bonds5

About 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine

4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 80661509) has the molecular formula C10H11N7OS and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID80661509
Molecular FormulaC10H11N7OS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3cn[nH]n3)no2)cs1
InChIInChI=1S/C10H11N7OS/c11-10-13-6(5-19-10)2-1-3-8-14-9(16-18-8)7-4-12-17-15-7/h4-5H,1-3H2,(H2,11,13)(H,12,15,17)
InChIKeyDCUDQJRYOHHSIP-UHFFFAOYSA-N
XLogP1.07
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 80661509) is 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is Nc1nc(CCCc2nc(-c3cn[nH]n3)no2)cs1.
What is the InChIKey of 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is DCUDQJRYOHHSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7OS/c11-10-13-6(5-19-10)2-1-3-8-14-9(16-18-8)7-4-12-17-15-7/h4-5H,1-3H2,(H2,11,13)(H,12,15,17).
What are the key properties of 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 277.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80661509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).