6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile

C18H16N4S — CID 133392835

IUPAC6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2csc(CCc3ccccc3)n2)n1
InChIInChI=1S/C18H16N4S/c19-11-15-7-4-8-17(21-15)20-12-16-13-23-18(22-16)10-9-14-5-2-1-3-6-14/h1-8,13H,9-10,12H2,(H,20,21)
InChIKeyDPAXFJVSBNETEG-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.81
Rot. Bonds6

About 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile

6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile (PubChem CID 133392835) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile
PubChem CID133392835
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2csc(CCc3ccccc3)n2)n1
InChIInChI=1S/C18H16N4S/c19-11-15-7-4-8-17(21-15)20-12-16-13-23-18(22-16)10-9-14-5-2-1-3-6-14/h1-8,13H,9-10,12H2,(H,20,21)
InChIKeyDPAXFJVSBNETEG-UHFFFAOYSA-N
XLogP3.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carbonitrile
CID 64588768
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate
CID 154844984
3-cyclopropyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133429570
1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea
CID 71923156
4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]benzonitrile
CID 61223904
4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylcarbamoylamino]butanoic acid
CID 122005645
N-benzyl-2-[(6-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 86814249
6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 64589167
6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133323177
(2S)-2-cyano-N-methyl-3-oxo-3-[2-(2-phenylethyl)-1,3-thiazol-4-yl]propanamide
CID 98361164

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile (CID 133392835) is 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile is N#Cc1cccc(NCc2csc(CCc3ccccc3)n2)n1.
What is the InChIKey of 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile?
The InChIKey is DPAXFJVSBNETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c19-11-15-7-4-8-17(21-15)20-12-16-13-23-18(22-16)10-9-14-5-2-1-3-6-14/h1-8,13H,9-10,12H2,(H,20,21).
What are the key properties of 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile?
6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile has a molecular weight of 320.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).