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

C11H19N5OS — CID 62184214

IUPAC2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCNc1snnc1CN(C)CC(=O)N1CCCC1
InChIInChI=1S/C11H19N5OS/c1-12-11-9(13-14-18-11)7-15(2)8-10(17)16-5-3-4-6-16/h12H,3-8H2,1-2H3
InChIKeyNGPMGILCNKQOJV-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.63
Rot. Bonds5

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

2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 62184214) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID62184214
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCNc1snnc1CN(C)CC(=O)N1CCCC1
InChIInChI=1S/C11H19N5OS/c1-12-11-9(13-14-18-11)7-15(2)8-10(17)16-5-3-4-6-16/h12H,3-8H2,1-2H3
InChIKeyNGPMGILCNKQOJV-UHFFFAOYSA-N
XLogP0.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone (CID 62184214) is 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone is CNc1snnc1CN(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is NGPMGILCNKQOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-12-11-9(13-14-18-11)7-15(2)8-10(17)16-5-3-4-6-16/h12H,3-8H2,1-2H3.
What are the key properties of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 269.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 62184214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).