3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine

C9H14N6S — CID 65274344

IUPAC3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCc2ncn[nH]2)n1
InChIInChI=1S/C9H14N6S/c1-6(2)8-13-9(16-15-8)10-4-3-7-11-5-12-14-7/h5-6H,3-4H2,1-2H3,(H,10,13,15)(H,11,12,14)
InChIKeyUGNOUEFSNMKMOL-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.43
Rot. Bonds5

About 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65274344) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65274344
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCc2ncn[nH]2)n1
InChIInChI=1S/C9H14N6S/c1-6(2)8-13-9(16-15-8)10-4-3-7-11-5-12-14-7/h5-6H,3-4H2,1-2H3,(H,10,13,15)(H,11,12,14)
InChIKeyUGNOUEFSNMKMOL-UHFFFAOYSA-N
XLogP1.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 65274344) is 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCCc2ncn[nH]2)n1.
What is the InChIKey of 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is UGNOUEFSNMKMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-6(2)8-13-9(16-15-8)10-4-3-7-11-5-12-14-7/h5-6H,3-4H2,1-2H3,(H,10,13,15)(H,11,12,14).
What are the key properties of 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 238.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).