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

C10H18N4OS — CID 4713656

IUPAC1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(NCCCN(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-8(15)7-9-12-10(16-13-9)11-5-4-6-14(2)3/h4-7H2,1-3H3,(H,11,12,13)
InChIKeyLVBOBCJABYURJB-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.03
Rot. Bonds7

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

1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 4713656) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID4713656
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(NCCCN(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-8(15)7-9-12-10(16-13-9)11-5-4-6-14(2)3/h4-7H2,1-3H3,(H,11,12,13)
InChIKeyLVBOBCJABYURJB-UHFFFAOYSA-N
XLogP1.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.03
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
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-Ethoxypropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713654
1-[5-[3-(Diethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713655
1-[5-(3-Morpholin-4-ylpropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713658
1-[5-(Cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 19712418

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one (CID 4713656) is 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one is CC(=O)Cc1nsc(NCCCN(C)C)n1.
What is the InChIKey of 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is LVBOBCJABYURJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8(15)7-9-12-10(16-13-9)11-5-4-6-14(2)3/h4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 242.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 4713656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).