N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine

C10H19N3S3 — CID 115384098

IUPACN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
SMILESCCNC(C)CCCSc1nnc(SC)s1
InChIInChI=1S/C10H19N3S3/c1-4-11-8(2)6-5-7-15-10-13-12-9(14-3)16-10/h8,11H,4-7H2,1-3H3
InChIKeyPWFNHYUHLMYTKE-UHFFFAOYSA-N
MW277.48 g/mol
LogP3.13
Rot. Bonds8

About N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine

N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine (PubChem CID 115384098) has the molecular formula C10H19N3S3 and a molecular weight of 277.48 g/mol. Its IUPAC name is N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
PubChem CID115384098
Molecular FormulaC10H19N3S3
Molecular Weight277.48 g/mol
Exact Mass277.07
IUPAC NameN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
SMILESCCNC(C)CCCSc1nnc(SC)s1
InChIInChI=1S/C10H19N3S3/c1-4-11-8(2)6-5-7-15-10-13-12-9(14-3)16-10/h8,11H,4-7H2,1-3H3
InChIKeyPWFNHYUHLMYTKE-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 53.13
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-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine?
The IUPAC name of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine (CID 115384098) is N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine?
The canonical SMILES for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine is CCNC(C)CCCSc1nnc(SC)s1.
What is the InChIKey of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine?
The InChIKey is PWFNHYUHLMYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S3/c1-4-11-8(2)6-5-7-15-10-13-12-9(14-3)16-10/h8,11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine?
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine is sourced from PubChem (CID 115384098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).