2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile

C14H10N4OS — CID 137462692

IUPAC2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile
SMILESCOc1nc(C#N)c(-c2ccccc2)c2sc(N)nc12
InChIInChI=1S/C14H10N4OS/c1-19-13-11-12(20-14(16)18-11)10(9(7-15)17-13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,16,18)
InChIKeyJYRXVSDHMKAZIL-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile

2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile (PubChem CID 137462692) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile
PubChem CID137462692
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile
SMILESCOc1nc(C#N)c(-c2ccccc2)c2sc(N)nc12
InChIInChI=1S/C14H10N4OS/c1-19-13-11-12(20-14(16)18-11)10(9(7-15)17-13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,16,18)
InChIKeyJYRXVSDHMKAZIL-UHFFFAOYSA-N
XLogP2.82
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile?
The IUPAC name of 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile (CID 137462692) is 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile.
What is the SMILES notation for 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile?
The canonical SMILES for 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile is COc1nc(C#N)c(-c2ccccc2)c2sc(N)nc12.
What is the InChIKey of 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile?
The InChIKey is JYRXVSDHMKAZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-19-13-11-12(20-14(16)18-11)10(9(7-15)17-13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,16,18).
What are the key properties of 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile?
2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile has a molecular weight of 282.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carbonitrile is sourced from PubChem (CID 137462692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).