2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide

C12H23N5OS — CID 55046752

IUPAC2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nnsc1NCCC
InChIInChI=1S/C12H23N5OS/c1-3-5-7-17(9-11(13)18)8-10-12(14-6-4-2)19-16-15-10/h14H,3-9H2,1-2H3,(H2,13,18)
InChIKeyXABFGOBANKTJLC-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.45
Rot. Bonds10

About 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide

2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide (PubChem CID 55046752) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
PubChem CID55046752
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nnsc1NCCC
InChIInChI=1S/C12H23N5OS/c1-3-5-7-17(9-11(13)18)8-10-12(14-6-4-2)19-16-15-10/h14H,3-9H2,1-2H3,(H2,13,18)
InChIKeyXABFGOBANKTJLC-UHFFFAOYSA-N
XLogP1.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Hexylamino-[1,2,3]thiadiazole-4-carboxylic acid amide
CID 18467502
4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046074
2-[[5-(Ethylamino)thiadiazol-4-yl]methyl-(2-methylpropyl)amino]acetamide
CID 55046083
2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 55046085
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 55046086
2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55046095
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 55046096
N-ethyl-2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]acetamide
CID 55046180
4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 55046189
4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046220
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55046232
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 55046322

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide (CID 55046752) is 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1nnsc1NCCC.
What is the InChIKey of 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The InChIKey is XABFGOBANKTJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-3-5-7-17(9-11(13)18)8-10-12(14-6-4-2)19-16-15-10/h14H,3-9H2,1-2H3,(H2,13,18).
What are the key properties of 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide?
2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide has a molecular weight of 285.42 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide is sourced from PubChem (CID 55046752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).