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

C10H17N3S — CID 104625643

IUPACN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine
SMILESCc1nnc(C(C)NC2CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-7(10-13-12-8(2)14-10)11-9-5-3-4-6-9/h7,9,11H,3-6H2,1-2H3
InChIKeyCOBOYDWTWAQLPS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.44
Rot. Bonds3

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

N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine (PubChem CID 104625643) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine
PubChem CID104625643
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine
SMILESCc1nnc(C(C)NC2CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-7(10-13-12-8(2)14-10)11-9-5-3-4-6-9/h7,9,11H,3-6H2,1-2H3
InChIKeyCOBOYDWTWAQLPS-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine (CID 104625643) is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine is Cc1nnc(C(C)NC2CCCC2)s1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine?
The InChIKey is COBOYDWTWAQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(10-13-12-8(2)14-10)11-9-5-3-4-6-9/h7,9,11H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine?
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine has a molecular weight of 211.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 104625643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).