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

C8H13N3O2S — CID 4713652

IUPAC1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCOCCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C8H13N3O2S/c1-6(12)5-7-10-8(14-11-7)9-3-4-13-2/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyYXMQRSZGOAWVFM-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.73
Rot. Bonds6

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

1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 4713652) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID4713652
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCOCCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C8H13N3O2S/c1-6(12)5-7-10-8(14-11-7)9-3-4-13-2/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyYXMQRSZGOAWVFM-UHFFFAOYSA-N
XLogP0.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-Methylamino-[1,2,4]thiadiazol-3-yl)-propan-2-one
CID 653344
1-[5-(Butylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 3317921
3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964782
N-[2-(2,2-difluoroethoxy)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 105912909
1-[5-(Propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4275800
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-[[(2R)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 1132705
1-[5-[[(2S)-oxolan-2-yl]methylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 1132706
1-[5-(Butan-2-ylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713651
1-[5-(3-Methoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713653

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (CID 4713652) is 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is COCCNc1nc(CC(C)=O)ns1.
What is the InChIKey of 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is YXMQRSZGOAWVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6(12)5-7-10-8(14-11-7)9-3-4-13-2/h3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 215.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 4713652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).