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

C10H17N3O3S2 — CID 47460857

IUPACN-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nnc(OC(C)C)s1
InChIInChI=1S/C10H17N3O3S2/c1-7(2)16-9-12-13-10(18-9)17-6-8(14)11-4-5-15-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyNIPMOFGYCFMMHB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.18
Rot. Bonds8

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

N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 47460857) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID47460857
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC NameN-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nnc(OC(C)C)s1
InChIInChI=1S/C10H17N3O3S2/c1-7(2)16-9-12-13-10(18-9)17-6-8(14)11-4-5-15-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyNIPMOFGYCFMMHB-UHFFFAOYSA-N
XLogP1.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
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-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 47460857) is N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COCCNC(=O)CSc1nnc(OC(C)C)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is NIPMOFGYCFMMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-7(2)16-9-12-13-10(18-9)17-6-8(14)11-4-5-15-3/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 47460857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).