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

C9H17N3S — CID 175850310

IUPAC1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine
SMILES[2H]c1nc(CC(C)N(CC)CC)ns1
InChIInChI=1S/C9H17N3S/c1-4-12(5-2)8(3)6-9-10-7-13-11-9/h7-8H,4-6H2,1-3H3/i7D
InChIKeyAIIVOAVKPJBAIG-WHRKIXHSSA-N
MW200.33 g/mol
LogP1.81
Rot. Bonds5

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

1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine (PubChem CID 175850310) has the molecular formula C9H17N3S and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine
PubChem CID175850310
Molecular FormulaC9H17N3S
Molecular Weight200.33 g/mol
Exact Mass200.12
IUPAC Name1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine
SMILES[2H]c1nc(CC(C)N(CC)CC)ns1
InChIInChI=1S/C9H17N3S/c1-4-12(5-2)8(3)6-9-10-7-13-11-9/h7-8H,4-6H2,1-3H3/i7D
InChIKeyAIIVOAVKPJBAIG-WHRKIXHSSA-N
XLogP1.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
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)-N,N-diethylpropan-2-amine?
The IUPAC name of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine (CID 175850310) is 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine.
What is the SMILES notation for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine?
The canonical SMILES for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine is [2H]c1nc(CC(C)N(CC)CC)ns1.
What is the InChIKey of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine?
The InChIKey is AIIVOAVKPJBAIG-WHRKIXHSSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-12(5-2)8(3)6-9-10-7-13-11-9/h7-8H,4-6H2,1-3H3/i7D.
What are the key properties of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine?
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 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)-N,N-diethylpropan-2-amine is sourced from PubChem (CID 175850310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).