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

C6H11N3S — CID 175850298

IUPAC1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine
SMILES[2H]c1nc(CC(C)NC)ns1
InChIInChI=1S/C6H11N3S/c1-5(7-2)3-6-8-4-10-9-6/h4-5,7H,3H2,1-2H3/i4D
InChIKeyVKHFENYQAHCIDG-QYKNYGDISA-N
MW158.25 g/mol
LogP0.69
Rot. Bonds3

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

1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine (PubChem CID 175850298) 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)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine
PubChem CID175850298
Molecular FormulaC6H11N3S
Molecular Weight158.25 g/mol
Exact Mass158.07
IUPAC Name1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine
SMILES[2H]c1nc(CC(C)NC)ns1
InChIInChI=1S/C6H11N3S/c1-5(7-2)3-6-8-4-10-9-6/h4-5,7H,3H2,1-2H3/i4D
InChIKeyVKHFENYQAHCIDG-QYKNYGDISA-N
XLogP0.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-3-(2-aminopropyl)-1,2,4-thiadiazole
CID 83872911
3-Propyl-1,2,4-thiadiazole
CID 17845902
3-Piperazin-2-yl-1,2,4-thiadiazole
CID 18787140
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-dimethylpropan-2-amine
CID 175850299
1-(5-Deuterio-1,2,4-thiadiazol-3-yl)-2-methylpropan-2-amine
CID 175850307
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N,N-diethylpropan-2-amine
CID 175850310
N-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65273224
N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65273225
N-methyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65279995
N-ethyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280057
1-(1,2,4-Thiadiazol-5-yl)propan-2-amine
CID 65280170
N-propyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280176

Frequently Asked Questions

What is the IUPAC name of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine (CID 175850298) is 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine is [2H]c1nc(CC(C)NC)ns1.
What is the InChIKey of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine?
The InChIKey is VKHFENYQAHCIDG-QYKNYGDISA-N. The full InChI is InChI=1S/C6H11N3S/c1-5(7-2)3-6-8-4-10-9-6/h4-5,7H,3H2,1-2H3/i4D.
What are the key properties of 1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine?
1-(5-deuterio-1,2,4-thiadiazol-3-yl)-N-methylpropan-2-amine has a molecular weight of 158.25 g/mol, XLogP of 0.69, 3 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)-N-methylpropan-2-amine is sourced from PubChem (CID 175850298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).