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

C10H19N5OS — CID 62184428

IUPAC2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nnsc1NC
InChIInChI=1S/C10H19N5OS/c1-3-4-5-15(7-9(11)16)6-8-10(12-2)17-14-13-8/h12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyOXMXBTOYHLGPMI-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.67
Rot. Bonds8

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

2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide (PubChem CID 62184428) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
PubChem CID62184428
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nnsc1NC
InChIInChI=1S/C10H19N5OS/c1-3-4-5-15(7-9(11)16)6-8-10(12-2)17-14-13-8/h12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyOXMXBTOYHLGPMI-UHFFFAOYSA-N
XLogP0.67
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide (CID 62184428) is 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1nnsc1NC.
What is the InChIKey of 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide?
The InChIKey is OXMXBTOYHLGPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-3-4-5-15(7-9(11)16)6-8-10(12-2)17-14-13-8/h12H,3-7H2,1-2H3,(H2,11,16).
What are the key properties of 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide?
2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide has a molecular weight of 257.36 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide is sourced from PubChem (CID 62184428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).