N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

C11H19ClN4O2S2 — CID 12004721

IUPACN-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCCC(=O)Nc1nnc(SCCN2CCOCC2)s1.Cl
InChIInChI=1S/C11H18N4O2S2.ClH/c1-2-9(16)12-10-13-14-11(19-10)18-8-5-15-3-6-17-7-4-15;/h2-8H2,1H3,(H,12,13,16);1H
InChIKeyRTERTNGKXCMGFO-UHFFFAOYSA-N
MW338.89 g/mol
LogP1.73
Rot. Bonds6

About N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (PubChem CID 12004721) has the molecular formula C11H19ClN4O2S2 and a molecular weight of 338.89 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
PubChem CID12004721
Molecular FormulaC11H19ClN4O2S2
Molecular Weight338.89 g/mol
Exact Mass338.06
IUPAC NameN-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCCC(=O)Nc1nnc(SCCN2CCOCC2)s1.Cl
InChIInChI=1S/C11H18N4O2S2.ClH/c1-2-9(16)12-10-13-14-11(19-10)18-8-5-15-3-6-17-7-4-15;/h2-8H2,1H3,(H,12,13,16);1H
InChIKeyRTERTNGKXCMGFO-UHFFFAOYSA-N
XLogP1.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.89
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-methoxy-N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3224578
2-[methyl(methylsulfonyl)amino]-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 121029657
1-(2-methylphenyl)-N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16807886
N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 43816194
N-(3-methylphenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 31837240
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 121046173
N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride
CID 171668669
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 134064939
1-methylsulfonyl-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 121029119
N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 18561189
N-propyl-2-[[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9376529

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (CID 12004721) is N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is CCC(=O)Nc1nnc(SCCN2CCOCC2)s1.Cl.
What is the InChIKey of N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The InChIKey is RTERTNGKXCMGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2.ClH/c1-2-9(16)12-10-13-14-11(19-10)18-8-5-15-3-6-17-7-4-15;/h2-8H2,1H3,(H,12,13,16);1H.
What are the key properties of N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride has a molecular weight of 338.89 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 12004721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).