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

C9H17N3S — CID 82397600

IUPAC2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine
SMILESCC(C)Cc1nc(C(C)(C)N)ns1
InChIInChI=1S/C9H17N3S/c1-6(2)5-7-11-8(12-13-7)9(3,4)10/h6H,5,10H2,1-4H3
InChIKeyJYZJKJHYNINMTD-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.93
Rot. Bonds3

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

2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine (PubChem CID 82397600) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine
PubChem CID82397600
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine
SMILESCC(C)Cc1nc(C(C)(C)N)ns1
InChIInChI=1S/C9H17N3S/c1-6(2)5-7-11-8(12-13-7)9(3,4)10/h6H,5,10H2,1-4H3
InChIKeyJYZJKJHYNINMTD-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine (CID 82397600) is 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine is CC(C)Cc1nc(C(C)(C)N)ns1.
What is the InChIKey of 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine?
The InChIKey is JYZJKJHYNINMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(2)5-7-11-8(12-13-7)9(3,4)10/h6H,5,10H2,1-4H3.
What are the key properties of 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine?
2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 82397600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).