2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide

C10H19N5OS — CID 55046095

IUPAC2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1nnsc1N
InChIInChI=1S/C10H19N5OS/c1-4-5-15(7-9(16)14(2)3)6-8-10(11)17-13-12-8/h4-7,11H2,1-3H3
InChIKeyWPBAOZBDVPTERT-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.42
Rot. Bonds6

About 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide

2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 55046095) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
PubChem CID55046095
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1nnsc1N
InChIInChI=1S/C10H19N5OS/c1-4-5-15(7-9(16)14(2)3)6-8-10(11)17-13-12-8/h4-7,11H2,1-3H3
InChIKeyWPBAOZBDVPTERT-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-propylamino]-N,N-dimethylacetamide
CID 55046096
N-ethyl-2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]acetamide
CID 55046180
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
N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046326
N,N-diethyl-2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046329
2-[(5-aminothiadiazol-4-yl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 55046372
2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55046373
2-[ethyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N,N-dimethylacetamide
CID 55046374
N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55046460

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide (CID 55046095) is 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1nnsc1N.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is WPBAOZBDVPTERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-4-5-15(7-9(16)14(2)3)6-8-10(11)17-13-12-8/h4-7,11H2,1-3H3.
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 257.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 55046095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).