N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine

C11H19N3OS2 — CID 62577213

IUPACN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1nnc(SCCNC(C)C2CCCO2)s1
InChIInChI=1S/C11H19N3OS2/c1-8(10-4-3-6-15-10)12-5-7-16-11-14-13-9(2)17-11/h8,10,12H,3-7H2,1-2H3
InChIKeyQIWVHFVXSWMQME-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.10
Rot. Bonds6

About N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62577213) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62577213
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1nnc(SCCNC(C)C2CCCO2)s1
InChIInChI=1S/C11H19N3OS2/c1-8(10-4-3-6-15-10)12-5-7-16-11-14-13-9(2)17-11/h8,10,12H,3-7H2,1-2H3
InChIKeyQIWVHFVXSWMQME-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine (CID 62577213) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine is Cc1nnc(SCCNC(C)C2CCCO2)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is QIWVHFVXSWMQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-8(10-4-3-6-15-10)12-5-7-16-11-14-13-9(2)17-11/h8,10,12H,3-7H2,1-2H3.
What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 273.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62577213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).