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

C6H11N3S — CID 175850307

IUPAC1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine
SMILES[2H]c1nc(CC(C)(C)N)ns1
InChIInChI=1S/C6H11N3S/c1-6(2,7)3-5-8-4-10-9-5/h4H,3,7H2,1-2H3/i4D
InChIKeyNZKXFENCQSWMIR-QYKNYGDISA-N
MW158.25 g/mol
LogP0.82
Rot. Bonds2

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

1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine (PubChem CID 175850307) has the molecular formula C6H11N3S and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine
PubChem CID175850307
Molecular FormulaC6H11N3S
Molecular Weight158.25 g/mol
Exact Mass158.07
IUPAC Name1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine
SMILES[2H]c1nc(CC(C)(C)N)ns1
InChIInChI=1S/C6H11N3S/c1-6(2,7)3-5-8-4-10-9-5/h4H,3,7H2,1-2H3/i4D
InChIKeyNZKXFENCQSWMIR-QYKNYGDISA-N
XLogP0.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine (CID 175850307) is 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine is [2H]c1nc(CC(C)(C)N)ns1.
What is the InChIKey of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine?
The InChIKey is NZKXFENCQSWMIR-QYKNYGDISA-N. The full InChI is InChI=1S/C6H11N3S/c1-6(2,7)3-5-8-4-10-9-5/h4H,3,7H2,1-2H3/i4D.
What are the key properties of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine?
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine has a molecular weight of 158.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 175850307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).