5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile

C18H16N6OS — CID 70687350

IUPAC5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C18H16N6OS/c19-9-13-7-14(11-20-10-13)16-12-22-18(26-16)23-17-8-15(1-2-21-17)24-3-5-25-6-4-24/h1-2,7-8,10-12H,3-6H2,(H,21,22,23)
InChIKeyGGNJVOIJSOFBDO-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.05
Rot. Bonds4

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

5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 70687350) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
PubChem CID70687350
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
InChIInChI=1S/C18H16N6OS/c19-9-13-7-14(11-20-10-13)16-12-22-18(26-16)23-17-8-15(1-2-21-17)24-3-5-25-6-4-24/h1-2,7-8,10-12H,3-6H2,(H,21,22,23)
InChIKeyGGNJVOIJSOFBDO-UHFFFAOYSA-N
XLogP3.05
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile (CID 70687350) is 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.
What is the InChIKey of 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is GGNJVOIJSOFBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c19-9-13-7-14(11-20-10-13)16-12-22-18(26-16)23-17-8-15(1-2-21-17)24-3-5-25-6-4-24/h1-2,7-8,10-12H,3-6H2,(H,21,22,23).
What are the key properties of 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 364.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 70687350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).