N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C10H18N4O3S2 — CID 7968991

IUPACN-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nnc(NCCOC)s1
InChIInChI=1S/C10H18N4O3S2/c1-16-5-3-11-8(15)7-18-10-14-13-9(19-10)12-4-6-17-2/h3-7H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyVLZXRQQMHYHQDC-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.45
Rot. Bonds10

About N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7968991) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID7968991
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC NameN-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nnc(NCCOC)s1
InChIInChI=1S/C10H18N4O3S2/c1-16-5-3-11-8(15)7-18-10-14-13-9(19-10)12-4-6-17-2/h3-7H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyVLZXRQQMHYHQDC-UHFFFAOYSA-N
XLogP0.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 7968991) is N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COCCNC(=O)CSc1nnc(NCCOC)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VLZXRQQMHYHQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-16-5-3-11-8(15)7-18-10-14-13-9(19-10)12-4-6-17-2/h3-7H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7968991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).