2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C14H14N4S — CID 63830627

IUPAC2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCCc1cscn1)CCC2
InChIInChI=1S/C14H14N4S/c15-7-11-6-10-2-1-3-13(10)18-14(11)16-5-4-12-8-19-9-17-12/h6,8-9H,1-5H2,(H,16,18)
InChIKeyGJJGWBXPNHIRFR-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.55
Rot. Bonds4

About 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 63830627) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID63830627
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCCc1cscn1)CCC2
InChIInChI=1S/C14H14N4S/c15-7-11-6-10-2-1-3-13(10)18-14(11)16-5-4-12-8-19-9-17-12/h6,8-9H,1-5H2,(H,16,18)
InChIKeyGJJGWBXPNHIRFR-UHFFFAOYSA-N
XLogP2.55
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 63830627) is 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NCCc1cscn1)CCC2.
What is the InChIKey of 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is GJJGWBXPNHIRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-7-11-6-10-2-1-3-13(10)18-14(11)16-5-4-12-8-19-9-17-12/h6,8-9H,1-5H2,(H,16,18).
What are the key properties of 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-4-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 63830627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).