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

C8H11N3OS — CID 19712418

IUPAC1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(NC2CC2)n1
InChIInChI=1S/C8H11N3OS/c1-5(12)4-7-10-8(13-11-7)9-6-2-3-6/h6H,2-4H2,1H3,(H,9,10,11)
InChIKeyQFZLBZHMGDPOFY-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.24
Rot. Bonds4

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

1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 19712418) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID19712418
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(NC2CC2)n1
InChIInChI=1S/C8H11N3OS/c1-5(12)4-7-10-8(13-11-7)9-6-2-3-6/h6H,2-4H2,1H3,(H,9,10,11)
InChIKeyQFZLBZHMGDPOFY-UHFFFAOYSA-N
XLogP1.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(Dimethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713656
1-[5-(Tert-butylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 23094804

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (CID 19712418) is 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is CC(=O)Cc1nsc(NC2CC2)n1.
What is the InChIKey of 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is QFZLBZHMGDPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-5(12)4-7-10-8(13-11-7)9-6-2-3-6/h6H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 197.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 19712418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).