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

C7H11N3OS — CID 1132699

IUPAC1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C7H11N3OS/c1-3-8-7-9-6(10-12-7)4-5(2)11/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyMUYFZPBKAQWWNI-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.10
Rot. Bonds4

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

1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 1132699) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID1132699
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C7H11N3OS/c1-3-8-7-9-6(10-12-7)4-5(2)11/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyMUYFZPBKAQWWNI-UHFFFAOYSA-N
XLogP1.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.10
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-Amino-1,2,4-thiadiazol-3-yl)propan-2-one
CID 54775331
1-[5-(Propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4275800
N-Butyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 20393662
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
N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130009372
1-[2-Methyl-5-(methylamino)-1,2,4-thiadiazol-2-ium-3-yl]ethanone
CID 169932658
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (CID 1132699) is 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is CCNc1nc(CC(C)=O)ns1.
What is the InChIKey of 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is MUYFZPBKAQWWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-8-7-9-6(10-12-7)4-5(2)11/h3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 185.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 1132699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).