2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide

C11H21N5OS — CID 55046322

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nnsc1NCC
InChIInChI=1S/C11H21N5OS/c1-4-6-13-10(17)8-16(3)7-9-11(12-5-2)18-15-14-9/h12H,4-8H2,1-3H3,(H,13,17)
InChIKeyQFUGQUZAKMENBW-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.93
Rot. Bonds8

About 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide

2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide (PubChem CID 55046322) 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-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide
PubChem CID55046322
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nnsc1NCC
InChIInChI=1S/C11H21N5OS/c1-4-6-13-10(17)8-16(3)7-9-11(12-5-2)18-15-14-9/h12H,4-8H2,1-3H3,(H,13,17)
InChIKeyQFUGQUZAKMENBW-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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Related Compounds

N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide
CID 86181120
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
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-[[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
N,N-dimethyl-N'-propyl-N'-[[5-(propylamino)thiadiazol-4-yl]methyl]ethane-1,2-diamine
CID 55046324
N-cyclopropyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046326

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide (CID 55046322) is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1nnsc1NCC.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide?
The InChIKey is QFUGQUZAKMENBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-4-6-13-10(17)8-16(3)7-9-11(12-5-2)18-15-14-9/h12H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide?
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-N-propylacetamide 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-methylamino]-N-propylacetamide is sourced from PubChem (CID 55046322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).