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

C11H18N4O2S2 — CID 860607

IUPACN-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(SCC(=O)N(CC)CC)s1
InChIInChI=1S/C11H18N4O2S2/c1-4-8(16)12-10-13-14-11(19-10)18-7-9(17)15(5-2)6-3/h4-7H2,1-3H3,(H,12,13,16)
InChIKeyPVYNAIUFUPJSIQ-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.85
Rot. Bonds7

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

N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 860607) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID860607
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC NameN-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(SCC(=O)N(CC)CC)s1
InChIInChI=1S/C11H18N4O2S2/c1-4-8(16)12-10-13-14-11(19-10)18-7-9(17)15(5-2)6-3/h4-7H2,1-3H3,(H,12,13,16)
InChIKeyPVYNAIUFUPJSIQ-UHFFFAOYSA-N
XLogP1.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1084779
2-(5-Acetylamino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1462703
N-(5-((2-(diisopropylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 655699
2-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]thio}-N-(tert-butyl)acetamide
CID 802824
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1462684
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 1462705
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 1470429
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1470430
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 1470519
Pentanoic acid (5-cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-amide
CID 3220528
N-(5-Cyclohexylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1470450
N-(5-((2-(cyclohexylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pentanamide
CID 24892681

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (CID 860607) is N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(SCC(=O)N(CC)CC)s1.
What is the InChIKey of N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is PVYNAIUFUPJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-4-8(16)12-10-13-14-11(19-10)18-7-9(17)15(5-2)6-3/h4-7H2,1-3H3,(H,12,13,16).
What are the key properties of N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 302.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 860607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).