2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone

C12H21N5OS — CID 62184215

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCCNc1snnc1CN(C)CC(=O)N1CCCC1
InChIInChI=1S/C12H21N5OS/c1-3-13-12-10(14-15-19-12)8-16(2)9-11(18)17-6-4-5-7-17/h13H,3-9H2,1-2H3
InChIKeyVLTIYICDKAFJRW-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.02
Rot. Bonds6

About 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone

2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 62184215) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID62184215
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCCNc1snnc1CN(C)CC(=O)N1CCCC1
InChIInChI=1S/C12H21N5OS/c1-3-13-12-10(14-15-19-12)8-16(2)9-11(18)17-6-4-5-7-17/h13H,3-9H2,1-2H3
InChIKeyVLTIYICDKAFJRW-UHFFFAOYSA-N
XLogP1.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Methyl-5-(pyrrolidin-1-YL)-1,2,3-thiadiazole-4-carboxamide
CID 1499020
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
3-Methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 55044825
2-[[5-(Ethylamino)thiadiazol-4-yl]methyl-(2-methylpropyl)amino]acetamide
CID 55046083
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone (CID 62184215) is 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone is CCNc1snnc1CN(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is VLTIYICDKAFJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-13-12-10(14-15-19-12)8-16(2)9-11(18)17-6-4-5-7-17/h13H,3-9H2,1-2H3.
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone?
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 283.40 g/mol, XLogP of 1.02, 6 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-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 62184215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).