N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide

C10H19N5O2S — CID 80606402

IUPACN-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
SMILESCNc1nnc(CN(C)CC(=O)NCCOC)s1
InChIInChI=1S/C10H19N5O2S/c1-11-10-14-13-9(18-10)7-15(2)6-8(16)12-4-5-17-3/h4-7H2,1-3H3,(H,11,14)(H,12,16)
InChIKeyCQKAUFNJEJOGJB-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.23
Rot. Bonds8

About N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide

N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide (PubChem CID 80606402) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
PubChem CID80606402
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
SMILESCNc1nnc(CN(C)CC(=O)NCCOC)s1
InChIInChI=1S/C10H19N5O2S/c1-11-10-14-13-9(18-10)7-15(2)6-8(16)12-4-5-17-3/h4-7H2,1-3H3,(H,11,14)(H,12,16)
InChIKeyCQKAUFNJEJOGJB-UHFFFAOYSA-N
XLogP-0.23
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide (CID 80606402) is N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide is CNc1nnc(CN(C)CC(=O)NCCOC)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
The InChIKey is CQKAUFNJEJOGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-11-10-14-13-9(18-10)7-15(2)6-8(16)12-4-5-17-3/h4-7H2,1-3H3,(H,11,14)(H,12,16).
What are the key properties of N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide?
N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide has a molecular weight of 273.36 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 80606402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).