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

C7H13N3S — CID 175850299

IUPAC1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine
SMILES[2H]c1nc(CC(C)N(C)C)ns1
InChIInChI=1S/C7H13N3S/c1-6(10(2)3)4-7-8-5-11-9-7/h5-6H,4H2,1-3H3/i5D
InChIKeyULKWZUJWKZWCNH-UICOGKGYSA-N
MW172.28 g/mol
LogP1.03
Rot. Bonds3

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

1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine (PubChem CID 175850299) has the molecular formula C7H13N3S and a molecular weight of 172.28 g/mol. Its IUPAC name is 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine
PubChem CID175850299
Molecular FormulaC7H13N3S
Molecular Weight172.28 g/mol
Exact Mass172.09
IUPAC Name1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine
SMILES[2H]c1nc(CC(C)N(C)C)ns1
InChIInChI=1S/C7H13N3S/c1-6(10(2)3)4-7-8-5-11-9-7/h5-6H,4H2,1-3H3/i5D
InChIKeyULKWZUJWKZWCNH-UICOGKGYSA-N
XLogP1.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.03
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-dimethylpropan-2-amine?
The IUPAC name of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine (CID 175850299) is 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine is [2H]c1nc(CC(C)N(C)C)ns1.
What is the InChIKey of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is ULKWZUJWKZWCNH-UICOGKGYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(10(2)3)4-7-8-5-11-9-7/h5-6H,4H2,1-3H3/i5D.
What are the key properties of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine?
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 172.28 g/mol, XLogP of 1.03, 3 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-dimethylpropan-2-amine is sourced from PubChem (CID 175850299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).