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

C17H14N4S — CID 133348791

IUPAC5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C17H14N4S/c18-10-14-6-7-15(11-20-14)19-9-8-16-12-22-17(21-16)13-4-2-1-3-5-13/h1-7,11-12,19H,8-9H2
InChIKeyVKIYTGWEJBZVPU-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.73
Rot. Bonds5

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

5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133348791) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID133348791
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C17H14N4S/c18-10-14-6-7-15(11-20-14)19-9-8-16-12-22-17(21-16)13-4-2-1-3-5-13/h1-7,11-12,19H,8-9H2
InChIKeyVKIYTGWEJBZVPU-UHFFFAOYSA-N
XLogP3.73
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 79829755
5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 86805393
5,6-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-4-carbonitrile
CID 133348775
5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 133372771
2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889919
3-bromo-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 133348760
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 133395262
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile (CID 133348791) is 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCCc2csc(-c3ccccc3)n2)cn1.
What is the InChIKey of 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is VKIYTGWEJBZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c18-10-14-6-7-15(11-20-14)19-9-8-16-12-22-17(21-16)13-4-2-1-3-5-13/h1-7,11-12,19H,8-9H2.
What are the key properties of 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile?
5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 306.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133348791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).