1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide

C11H19N5OS — CID 62209676

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1snnc1CN1CCCC1C(=O)NC
InChIInChI=1S/C11H19N5OS/c1-3-13-11-8(14-15-18-11)7-16-6-4-5-9(16)10(17)12-2/h9,13H,3-7H2,1-2H3,(H,12,17)
InChIKeyMZUYDSWEJMRNNP-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.68
Rot. Bonds5

About 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 62209676) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID62209676
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1snnc1CN1CCCC1C(=O)NC
InChIInChI=1S/C11H19N5OS/c1-3-13-11-8(14-15-18-11)7-16-6-4-5-9(16)10(17)12-2/h9,13H,3-7H2,1-2H3,(H,12,17)
InChIKeyMZUYDSWEJMRNNP-UHFFFAOYSA-N
XLogP0.68
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 62209676) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide is CCNc1snnc1CN1CCCC1C(=O)NC.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MZUYDSWEJMRNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-3-13-11-8(14-15-18-11)7-16-6-4-5-9(16)10(17)12-2/h9,13H,3-7H2,1-2H3,(H,12,17).
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62209676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).