6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine

C13H16N4S — CID 105165986

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine
SMILESCCc1nnsc1C(N)C1CCc2cccnc21
InChIInChI=1S/C13H16N4S/c1-2-10-13(18-17-16-10)11(14)9-6-5-8-4-3-7-15-12(8)9/h3-4,7,9,11H,2,5-6,14H2,1H3
InChIKeyUETVYCSSHUGZMN-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.23
Rot. Bonds3

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine (PubChem CID 105165986) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine
PubChem CID105165986
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine
SMILESCCc1nnsc1C(N)C1CCc2cccnc21
InChIInChI=1S/C13H16N4S/c1-2-10-13(18-17-16-10)11(14)9-6-5-8-4-3-7-15-12(8)9/h3-4,7,9,11H,2,5-6,14H2,1H3
InChIKeyUETVYCSSHUGZMN-UHFFFAOYSA-N
XLogP2.23
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethylphenyl)methanamine
CID 105009866
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methylphenyl)methanamine
CID 79748906
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-2-yl)methanamine
CID 79745456
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-propylpentan-1-amine
CID 105009869
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylbutan-1-amine
CID 79748029
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethanamine
CID 79747927
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 79748155
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methoxyethanamine
CID 79747968
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-fluorophenyl)methanamine
CID 79745535
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxyphenyl)methanamine
CID 79745843
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine (CID 105165986) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine is CCc1nnsc1C(N)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine?
The InChIKey is UETVYCSSHUGZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-10-13(18-17-16-10)11(14)9-6-5-8-4-3-7-15-12(8)9/h3-4,7,9,11H,2,5-6,14H2,1H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine has a molecular weight of 260.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105165986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).