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

C8H13N3OS — CID 4275800

IUPAC1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCCCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C8H13N3OS/c1-3-4-9-8-10-7(11-13-8)5-6(2)12/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyGZCLKBLUKVIULN-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.49
Rot. Bonds5

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

1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 4275800) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID4275800
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCCCNc1nc(CC(C)=O)ns1
InChIInChI=1S/C8H13N3OS/c1-3-4-9-8-10-7(11-13-8)5-6(2)12/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyGZCLKBLUKVIULN-UHFFFAOYSA-N
XLogP1.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Methyl 2-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 57228527
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one (CID 4275800) is 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is CCCNc1nc(CC(C)=O)ns1.
What is the InChIKey of 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is GZCLKBLUKVIULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-4-9-8-10-7(11-13-8)5-6(2)12/h3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 199.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 4275800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).