5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile

C11H10N4S — CID 79829755

IUPAC5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCc2cscn2)cn1
InChIInChI=1S/C11H10N4S/c12-5-9-1-2-10(6-14-9)13-4-3-11-7-16-8-15-11/h1-2,6-8,13H,3-4H2
InChIKeyLMTTWMLAPJODOC-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.06
Rot. Bonds4

About 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile

5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 79829755) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID79829755
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCc2cscn2)cn1
InChIInChI=1S/C11H10N4S/c12-5-9-1-2-10(6-14-9)13-4-3-11-7-16-8-15-11/h1-2,6-8,13H,3-4H2
InChIKeyLMTTWMLAPJODOC-UHFFFAOYSA-N
XLogP2.06
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile (CID 79829755) is 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCCc2cscn2)cn1.
What is the InChIKey of 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is LMTTWMLAPJODOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-5-9-1-2-10(6-14-9)13-4-3-11-7-16-8-15-11/h1-2,6-8,13H,3-4H2.
What are the key properties of 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 230.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79829755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).