1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one

C6H9N3OS — CID 653344

IUPAC1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C6H9N3OS/c1-4(10)3-5-8-6(7-2)11-9-5/h3H2,1-2H3,(H,7,8,9)
InChIKeyOAGMZNVAKMLSPP-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.71
Rot. Bonds3

About 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one

1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 653344) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID653344
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C6H9N3OS/c1-4(10)3-5-8-6(7-2)11-9-5/h3H2,1-2H3,(H,7,8,9)
InChIKeyOAGMZNVAKMLSPP-UHFFFAOYSA-N
XLogP0.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(Butylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 3317921
3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 55287031
1-(5-Amino-1,2,4-thiadiazol-3-yl)propan-2-one
CID 54775331
3-(5-Amino-1,2,4-thiadiazol-3-yl)-3-fluorobutan-2-one
CID 175248949
1-[5-(Propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4275800
1,2,4-Thiadiazole, 5-(methylamino)-3-propyl-
CID 582182
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 82112298
1-[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 125501072
1-[2-Methyl-5-(methylamino)-1,2,4-thiadiazol-2-ium-3-yl]ethanone
CID 169932658
1-[5-(Ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 1132699
1-[5-(2-Methylpropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 1132701
1-[5-(Butan-2-ylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713651

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (CID 653344) is 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is CNc1nc(CC(C)=O)ns1.
What is the InChIKey of 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is OAGMZNVAKMLSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4(10)3-5-8-6(7-2)11-9-5/h3H2,1-2H3,(H,7,8,9).
What are the key properties of 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 171.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 653344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).