(2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C9H15N3O2S3 — CID 8888527

IUPAC(2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCOCCNC(=O)[C@@H](C)Sc1nnc(SC)s1
InChIInChI=1S/C9H15N3O2S3/c1-6(7(13)10-4-5-14-2)16-9-12-11-8(15-3)17-9/h6H,4-5H2,1-3H3,(H,10,13)/t6-/m1/s1
InChIKeyUIGHEPHHRPBZMO-ZCFIWIBFSA-N
MW293.44 g/mol
LogP1.50
Rot. Bonds7

About (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

(2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 8888527) has the molecular formula C9H15N3O2S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID8888527
Molecular FormulaC9H15N3O2S3
Molecular Weight293.44 g/mol
Exact Mass293.03
IUPAC Name(2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCOCCNC(=O)[C@@H](C)Sc1nnc(SC)s1
InChIInChI=1S/C9H15N3O2S3/c1-6(7(13)10-4-5-14-2)16-9-12-11-8(15-3)17-9/h6H,4-5H2,1-3H3,(H,10,13)/t6-/m1/s1
InChIKeyUIGHEPHHRPBZMO-ZCFIWIBFSA-N
XLogP1.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.50
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 (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 8888527) is (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is COCCNC(=O)[C@@H](C)Sc1nnc(SC)s1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is UIGHEPHHRPBZMO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3O2S3/c1-6(7(13)10-4-5-14-2)16-9-12-11-8(15-3)17-9/h6H,4-5H2,1-3H3,(H,10,13)/t6-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
(2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 293.44 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 8888527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).