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

C10H17N5OS — CID 62183872

IUPAC2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1nnsc1N
InChIInChI=1S/C10H17N5OS/c1-14(6-8-10(11)17-13-12-8)7-9(16)15-4-2-3-5-15/h2-7,11H2,1H3
InChIKeyKXHIFUCWICQGKW-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.17
Rot. Bonds4

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

2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 62183872) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID62183872
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1nnsc1N
InChIInChI=1S/C10H17N5OS/c1-14(6-8-10(11)17-13-12-8)7-9(16)15-4-2-3-5-15/h2-7,11H2,1H3
InChIKeyKXHIFUCWICQGKW-UHFFFAOYSA-N
XLogP0.17
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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,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-ethyl-2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046475
2-[Butyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 55046752
1-[4-[(5-Aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 62178043

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone (CID 62183872) is 2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)Cc1nnsc1N.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is KXHIFUCWICQGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-14(6-8-10(11)17-13-12-8)7-9(16)15-4-2-3-5-15/h2-7,11H2,1H3.
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 255.35 g/mol, XLogP of 0.17, 4 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-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 62183872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).