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

C10H19N5OS — CID 55046232

IUPAC2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCNc1snnc1CN(C)CC(=O)NC(C)C
InChIInChI=1S/C10H19N5OS/c1-7(2)12-9(16)6-15(4)5-8-10(11-3)17-14-13-8/h7,11H,5-6H2,1-4H3,(H,12,16)
InChIKeyOVVRFGPDVVVTDN-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.54
Rot. Bonds6

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

2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide (PubChem CID 55046232) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
PubChem CID55046232
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCNc1snnc1CN(C)CC(=O)NC(C)C
InChIInChI=1S/C10H19N5OS/c1-7(2)12-9(16)6-15(4)5-8-10(11-3)17-14-13-8/h7,11H,5-6H2,1-4H3,(H,12,16)
InChIKeyOVVRFGPDVVVTDN-UHFFFAOYSA-N
XLogP0.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
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]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide (CID 55046232) is 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide is CNc1snnc1CN(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is OVVRFGPDVVVTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-7(2)12-9(16)6-15(4)5-8-10(11-3)17-14-13-8/h7,11H,5-6H2,1-4H3,(H,12,16).
What are the key properties of 2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 257.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 55046232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).