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

C11H18N4OS2 — CID 3716128

IUPACN-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(SCCN2CCCC2)s1
InChIInChI=1S/C11H18N4OS2/c1-2-9(16)12-10-13-14-11(18-10)17-8-7-15-5-3-4-6-15/h2-8H2,1H3,(H,12,13,16)
InChIKeyCAYOJXVLDONJNX-UHFFFAOYSA-N
MW286.43 g/mol
LogP2.07
Rot. Bonds6

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

N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 3716128) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID3716128
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC NameN-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(SCCN2CCCC2)s1
InChIInChI=1S/C11H18N4OS2/c1-2-9(16)12-10-13-14-11(18-10)17-8-7-15-5-3-4-6-15/h2-8H2,1H3,(H,12,13,16)
InChIKeyCAYOJXVLDONJNX-UHFFFAOYSA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 3716128) is N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(SCCN2CCCC2)s1.
What is the InChIKey of N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is CAYOJXVLDONJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-2-9(16)12-10-13-14-11(18-10)17-8-7-15-5-3-4-6-15/h2-8H2,1H3,(H,12,13,16).
What are the key properties of N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 286.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 3716128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).