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

C11H21N5OS — CID 62208248

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nnsc1NCC
InChIInChI=1S/C11H21N5OS/c1-4-6-16(8-10(17)12-3)7-9-11(13-5-2)18-15-14-9/h13H,4-8H2,1-3H3,(H,12,17)
InChIKeyBHSDMHGQGGCOTI-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.93
Rot. Bonds8

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

2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide (PubChem CID 62208248) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide
PubChem CID62208248
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nnsc1NCC
InChIInChI=1S/C11H21N5OS/c1-4-6-16(8-10(17)12-3)7-9-11(13-5-2)18-15-14-9/h13H,4-8H2,1-3H3,(H,12,17)
InChIKeyBHSDMHGQGGCOTI-UHFFFAOYSA-N
XLogP0.93
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide (CID 62208248) is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1nnsc1NCC.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide?
The InChIKey is BHSDMHGQGGCOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-4-6-16(8-10(17)12-3)7-9-11(13-5-2)18-15-14-9/h13H,4-8H2,1-3H3,(H,12,17).
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide?
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide has a molecular weight of 271.39 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 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-methylacetamide is sourced from PubChem (CID 62208248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).