2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

C13H20N4O3S3 — CID 9376389

IUPAC2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(SCC(=O)N2CCOCC2)s1
InChIInChI=1S/C13H20N4O3S3/c1-2-3-14-10(18)8-21-12-15-16-13(23-12)22-9-11(19)17-4-6-20-7-5-17/h2-9H2,1H3,(H,14,18)
InChIKeyBEAFRAHPJBOGGU-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.11
Rot. Bonds8

About 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide (PubChem CID 9376389) has the molecular formula C13H20N4O3S3 and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
PubChem CID9376389
Molecular FormulaC13H20N4O3S3
Molecular Weight376.53 g/mol
Exact Mass376.07
IUPAC Name2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(SCC(=O)N2CCOCC2)s1
InChIInChI=1S/C13H20N4O3S3/c1-2-3-14-10(18)8-21-12-15-16-13(23-12)22-9-11(19)17-4-6-20-7-5-17/h2-9H2,1H3,(H,14,18)
InChIKeyBEAFRAHPJBOGGU-UHFFFAOYSA-N
XLogP1.11
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47460857
N-(1-methyl-3-morpholin-4-ylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide
CID 46983226
N-(2-methoxyethyl)-2-[[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4831512
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 7692250
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 7692254
N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820442
(2S)-N-(2-methoxyethyl)-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8400553
(2R)-N-(2-methoxyethyl)-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8400554
(2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8888527
(2S)-N-(2-methoxyethyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8934841
(2S)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)propanamide
CID 8938866
(2R)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)propanamide
CID 8938874

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide (CID 9376389) is 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(SCC(=O)N2CCOCC2)s1.
What is the InChIKey of 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The InChIKey is BEAFRAHPJBOGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S3/c1-2-3-14-10(18)8-21-12-15-16-13(23-12)22-9-11(19)17-4-6-20-7-5-17/h2-9H2,1H3,(H,14,18).
What are the key properties of 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide has a molecular weight of 376.53 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 9376389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).