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

C11H19N3S — CID 104628497

IUPAC2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine
SMILESCc1nnc(C(C)NC2CCCC2C)s1
InChIInChI=1S/C11H19N3S/c1-7-5-4-6-10(7)12-8(2)11-14-13-9(3)15-11/h7-8,10,12H,4-6H2,1-3H3
InChIKeyLRFTYKITODKNEV-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.69
Rot. Bonds3

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

2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine (PubChem CID 104628497) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine
PubChem CID104628497
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine
SMILESCc1nnc(C(C)NC2CCCC2C)s1
InChIInChI=1S/C11H19N3S/c1-7-5-4-6-10(7)12-8(2)11-14-13-9(3)15-11/h7-8,10,12H,4-6H2,1-3H3
InChIKeyLRFTYKITODKNEV-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine (CID 104628497) is 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine is Cc1nnc(C(C)NC2CCCC2C)s1.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine?
The InChIKey is LRFTYKITODKNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7-5-4-6-10(7)12-8(2)11-14-13-9(3)15-11/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine?
2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 104628497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).