2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine

C8H15N3S — CID 82406024

IUPAC2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCC(C)c1nsc(C(C)(C)N)n1
InChIInChI=1S/C8H15N3S/c1-5(2)6-10-7(12-11-6)8(3,4)9/h5H,9H2,1-4H3
InChIKeyHDXZURVOTMFLKZ-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.86
Rot. Bonds2

About 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine

2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 82406024) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID82406024
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCC(C)c1nsc(C(C)(C)N)n1
InChIInChI=1S/C8H15N3S/c1-5(2)6-10-7(12-11-6)8(3,4)9/h5H,9H2,1-4H3
InChIKeyHDXZURVOTMFLKZ-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine (CID 82406024) is 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine is CC(C)c1nsc(C(C)(C)N)n1.
What is the InChIKey of 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is HDXZURVOTMFLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(2)6-10-7(12-11-6)8(3,4)9/h5H,9H2,1-4H3.
What are the key properties of 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine?
2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82406024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).