6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile

C17H13N3OS — CID 68884597

IUPAC6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile
SMILESCc1sc(-c2ccccc2)nc1COc1ccc(C#N)cn1
InChIInChI=1S/C17H13N3OS/c1-12-15(11-21-16-8-7-13(9-18)10-19-16)20-17(22-12)14-5-3-2-4-6-14/h2-8,10H,11H2,1H3
InChIKeyAXQYRZOOHZWMHA-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.96
Rot. Bonds4

About 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile

6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile (PubChem CID 68884597) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile
PubChem CID68884597
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile
SMILESCc1sc(-c2ccccc2)nc1COc1ccc(C#N)cn1
InChIInChI=1S/C17H13N3OS/c1-12-15(11-21-16-8-7-13(9-18)10-19-16)20-17(22-12)14-5-3-2-4-6-14/h2-8,10H,11H2,1H3
InChIKeyAXQYRZOOHZWMHA-UHFFFAOYSA-N
XLogP3.96
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile (CID 68884597) is 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile is Cc1sc(-c2ccccc2)nc1COc1ccc(C#N)cn1.
What is the InChIKey of 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile?
The InChIKey is AXQYRZOOHZWMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-12-15(11-21-16-8-7-13(9-18)10-19-16)20-17(22-12)14-5-3-2-4-6-14/h2-8,10H,11H2,1H3.
What are the key properties of 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile?
6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile has a molecular weight of 307.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 68884597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).