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

C13H23N3O3S2 — CID 51096546

IUPACN-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCCOCCCNC(=O)C(C)Sc1nnc(OC(C)C)s1
InChIInChI=1S/C13H23N3O3S2/c1-5-18-8-6-7-14-11(17)10(4)20-13-16-15-12(21-13)19-9(2)3/h9-10H,5-8H2,1-4H3,(H,14,17)
InChIKeyGBIPXFDCUHKPEZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.35
Rot. Bonds10

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

N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 51096546) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID51096546
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC NameN-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCCOCCCNC(=O)C(C)Sc1nnc(OC(C)C)s1
InChIInChI=1S/C13H23N3O3S2/c1-5-18-8-6-7-14-11(17)10(4)20-13-16-15-12(21-13)19-9(2)3/h9-10H,5-8H2,1-4H3,(H,14,17)
InChIKeyGBIPXFDCUHKPEZ-UHFFFAOYSA-N
XLogP2.35
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.35
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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Related Compounds

N-(3-ethoxypropyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 47145637
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 52508929
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
(2S)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylpropanamide
CID 9376626
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 55988248
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylbutyl)propanamide
CID 43112283
N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
CID 75869890
N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62578490
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 26207283

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 51096546) is N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is CCOCCCNC(=O)C(C)Sc1nnc(OC(C)C)s1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is GBIPXFDCUHKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-5-18-8-6-7-14-11(17)10(4)20-13-16-15-12(21-13)19-9(2)3/h9-10H,5-8H2,1-4H3,(H,14,17).
What are the key properties of N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 51096546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).