2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile

C19H14N6OS — CID 58338043

IUPAC2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(CCNc3ncnc4scnc34)cc2)c1
InChIInChI=1S/C19H14N6OS/c20-10-14-6-7-21-16(9-14)26-15-3-1-13(2-4-15)5-8-22-18-17-19(24-11-23-18)27-12-25-17/h1-4,6-7,9,11-12H,5,8H2,(H,22,23,24)
InChIKeyJDJQZYNXAPXKIQ-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile

2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile (PubChem CID 58338043) has the molecular formula C19H14N6OS and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
PubChem CID58338043
Molecular FormulaC19H14N6OS
Molecular Weight374.43 g/mol
Exact Mass374.09
IUPAC Name2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccc(CCNc3ncnc4scnc34)cc2)c1
InChIInChI=1S/C19H14N6OS/c20-10-14-6-7-21-16(9-14)26-15-3-1-13(2-4-15)5-8-22-18-17-19(24-11-23-18)27-12-25-17/h1-4,6-7,9,11-12H,5,8H2,(H,22,23,24)
InChIKeyJDJQZYNXAPXKIQ-UHFFFAOYSA-N
XLogP3.80
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile (CID 58338043) is 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccc(CCNc3ncnc4scnc34)cc2)c1.
What is the InChIKey of 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile?
The InChIKey is JDJQZYNXAPXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS/c20-10-14-6-7-21-16(9-14)26-15-3-1-13(2-4-15)5-8-22-18-17-19(24-11-23-18)27-12-25-17/h1-4,6-7,9,11-12H,5,8H2,(H,22,23,24).
What are the key properties of 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile?
2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile has a molecular weight of 374.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 58338043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).