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

C10H19N3S — CID 65272925

IUPACN-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCCC(Cc1nc(C)ns1)NCC
InChIInChI=1S/C10H19N3S/c1-4-6-9(11-5-2)7-10-12-8(3)13-14-10/h9,11H,4-7H2,1-3H3
InChIKeyDZEKAYKHZBOWLR-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.17
Rot. Bonds6

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

N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine (PubChem CID 65272925) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine
PubChem CID65272925
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine
SMILESCCCC(Cc1nc(C)ns1)NCC
InChIInChI=1S/C10H19N3S/c1-4-6-9(11-5-2)7-10-12-8(3)13-14-10/h9,11H,4-7H2,1-3H3
InChIKeyDZEKAYKHZBOWLR-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine (CID 65272925) is N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine is CCCC(Cc1nc(C)ns1)NCC.
What is the InChIKey of N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
The InChIKey is DZEKAYKHZBOWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-6-9(11-5-2)7-10-12-8(3)13-14-10/h9,11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine?
N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 65272925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).