2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine

C10H17N3S — CID 107185489

IUPAC2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC1CCCC1c1nnc(CCN)s1
InChIInChI=1S/C10H17N3S/c1-7-3-2-4-8(7)10-13-12-9(14-10)5-6-11/h7-8H,2-6,11H2,1H3
InChIKeyXZZTVVXJVUGYAH-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.94
Rot. Bonds3

About 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine

2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 107185489) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID107185489
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC1CCCC1c1nnc(CCN)s1
InChIInChI=1S/C10H17N3S/c1-7-3-2-4-8(7)10-13-12-9(14-10)5-6-11/h7-8H,2-6,11H2,1H3
InChIKeyXZZTVVXJVUGYAH-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 107185489) is 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine is CC1CCCC1c1nnc(CCN)s1.
What is the InChIKey of 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is XZZTVVXJVUGYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-3-2-4-8(7)10-13-12-9(14-10)5-6-11/h7-8H,2-6,11H2,1H3.
What are the key properties of 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 107185489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).