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

C12H23N5OS — CID 55046096

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1nnsc1NCC
InChIInChI=1S/C12H23N5OS/c1-5-7-17(9-11(18)16(3)4)8-10-12(13-6-2)19-15-14-10/h13H,5-9H2,1-4H3
InChIKeyHXQQDQYLXUCWBD-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.27
Rot. Bonds8

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

2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 55046096) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
PubChem CID55046096
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1nnsc1NCC
InChIInChI=1S/C12H23N5OS/c1-5-7-17(9-11(18)16(3)4)8-10-12(13-6-2)19-15-14-10/h13H,5-9H2,1-4H3
InChIKeyHXQQDQYLXUCWBD-UHFFFAOYSA-N
XLogP1.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide
CID 86181120
5-(tert-butylamino)-N-methyl-1,2,3-thiadiazole-4-carboxamide
CID 1499045
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide (CID 55046096) is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1nnsc1NCC.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is HXQQDQYLXUCWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-5-7-17(9-11(18)16(3)4)8-10-12(13-6-2)19-15-14-10/h13H,5-9H2,1-4H3.
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide?
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 285.42 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 55046096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).