N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C10H17N3O2S2 — CID 47144916

IUPACN-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCCOCCCNC(=O)C(C)Sc1nncs1
InChIInChI=1S/C10H17N3O2S2/c1-3-15-6-4-5-11-9(14)8(2)17-10-13-12-7-16-10/h7-8H,3-6H2,1-2H3,(H,11,14)
InChIKeyGOGCHAARMJFWCT-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.56
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 47144916) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID47144916
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCCOCCCNC(=O)C(C)Sc1nncs1
InChIInChI=1S/C10H17N3O2S2/c1-3-15-6-4-5-11-9(14)8(2)17-10-13-12-7-16-10/h7-8H,3-6H2,1-2H3,(H,11,14)
InChIKeyGOGCHAARMJFWCT-UHFFFAOYSA-N
XLogP1.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 47144916) is N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CCOCCCNC(=O)C(C)Sc1nncs1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is GOGCHAARMJFWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-3-15-6-4-5-11-9(14)8(2)17-10-13-12-7-16-10/h7-8H,3-6H2,1-2H3,(H,11,14).
What are the key properties of N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 47144916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).