2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide

C12H23N5OS — CID 55046373

IUPAC2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCCNc1snnc1CN(CC)CC(=O)NC(C)C
InChIInChI=1S/C12H23N5OS/c1-5-13-12-10(15-16-19-12)7-17(6-2)8-11(18)14-9(3)4/h9,13H,5-8H2,1-4H3,(H,14,18)
InChIKeyLIJAKNFIIHXUNN-UHFFFAOYSA-N
MW285.42 g/mol
LogP1.32
Rot. Bonds8

About 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide (PubChem CID 55046373) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
PubChem CID55046373
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCCNc1snnc1CN(CC)CC(=O)NC(C)C
InChIInChI=1S/C12H23N5OS/c1-5-13-12-10(15-16-19-12)7-17(6-2)8-11(18)14-9(3)4/h9,13H,5-8H2,1-4H3,(H,14,18)
InChIKeyLIJAKNFIIHXUNN-UHFFFAOYSA-N
XLogP1.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide (CID 55046373) is 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide is CCNc1snnc1CN(CC)CC(=O)NC(C)C.
What is the InChIKey of 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is LIJAKNFIIHXUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-5-13-12-10(15-16-19-12)7-17(6-2)8-11(18)14-9(3)4/h9,13H,5-8H2,1-4H3,(H,14,18).
What are the key properties of 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 285.42 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[5-(ethylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55046373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).