N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

C7H11N3OS2 — CID 1228188

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCSc1nnc(NC(=O)CC)s1
InChIInChI=1S/C7H11N3OS2/c1-3-5(11)8-6-9-10-7(13-6)12-4-2/h3-4H2,1-2H3,(H,8,9,11)
InChIKeyZGNBQKFUOXUBDR-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.00
Rot. Bonds4

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 1228188) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID1228188
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCSc1nnc(NC(=O)CC)s1
InChIInChI=1S/C7H11N3OS2/c1-3-5(11)8-6-9-10-7(13-6)12-4-2/h3-4H2,1-2H3,(H,8,9,11)
InChIKeyZGNBQKFUOXUBDR-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide (CID 1228188) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide is CCSc1nnc(NC(=O)CC)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is ZGNBQKFUOXUBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-3-5(11)8-6-9-10-7(13-6)12-4-2/h3-4H2,1-2H3,(H,8,9,11).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 217.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 1228188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).