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

C10H19N3S2 — CID 62577412

IUPACN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine
SMILESCCCCCNCCSc1nnc(C)s1
InChIInChI=1S/C10H19N3S2/c1-3-4-5-6-11-7-8-14-10-13-12-9(2)15-10/h11H,3-8H2,1-2H3
InChIKeyLNPGGOYIVUCIOI-UHFFFAOYSA-N
MW245.42 g/mol
LogP2.72
Rot. Bonds8

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

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine (PubChem CID 62577412) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine
PubChem CID62577412
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine
SMILESCCCCCNCCSc1nnc(C)s1
InChIInChI=1S/C10H19N3S2/c1-3-4-5-6-11-7-8-14-10-13-12-9(2)15-10/h11H,3-8H2,1-2H3
InChIKeyLNPGGOYIVUCIOI-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]pentan-1-amine?
The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine (CID 62577412) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine?
The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine is CCCCCNCCSc1nnc(C)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine?
The InChIKey is LNPGGOYIVUCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-3-4-5-6-11-7-8-14-10-13-12-9(2)15-10/h11H,3-8H2,1-2H3.
What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine?
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine has a molecular weight of 245.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pentan-1-amine is sourced from PubChem (CID 62577412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).