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

C10H17N3O2S — CID 4713654

IUPAC1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCCOCCCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C10H17N3O2S/c1-3-15-6-4-5-11-10-12-9(13-16-10)7-8(2)14/h3-7H2,1-2H3,(H,11,12,13)
InChIKeyQAIBCNHDMBXNCH-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.51
Rot. Bonds8

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

1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 4713654) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID4713654
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCCOCCCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C10H17N3O2S/c1-3-15-6-4-5-11-10-12-9(13-16-10)7-8(2)14/h3-7H2,1-2H3,(H,11,12,13)
InChIKeyQAIBCNHDMBXNCH-UHFFFAOYSA-N
XLogP1.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.51
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
1-[5-(Propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4275800
Methyl 2-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 57228527
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
1-[5-(2-Methoxyethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713652
1-[5-(3-Methoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713653
1-[5-[3-(Diethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713655
1-[5-[3-(Dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713656
1-[5-(3-Morpholin-4-ylpropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713658

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (CID 4713654) is 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is CCOCCCNc1nc(CC(C)=O)ns1.
What is the InChIKey of 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is QAIBCNHDMBXNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-15-6-4-5-11-10-12-9(13-16-10)7-8(2)14/h3-7H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 243.33 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 4713654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).