3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide

C16H15N5OS — CID 173338069

IUPAC3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide
SMILESCNc1ccc(Oc2ccccc2)nc1C(N)=Nc1nccs1
InChIInChI=1S/C16H15N5OS/c1-18-12-7-8-13(22-11-5-3-2-4-6-11)20-14(12)15(17)21-16-19-9-10-23-16/h2-10,18H,1H3,(H2,17,19,21)
InChIKeyYYWCSEWWYBDALW-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.41
Rot. Bonds5

About 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide

3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide (PubChem CID 173338069) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide
PubChem CID173338069
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide
SMILESCNc1ccc(Oc2ccccc2)nc1C(N)=Nc1nccs1
InChIInChI=1S/C16H15N5OS/c1-18-12-7-8-13(22-11-5-3-2-4-6-11)20-14(12)15(17)21-16-19-9-10-23-16/h2-10,18H,1H3,(H2,17,19,21)
InChIKeyYYWCSEWWYBDALW-UHFFFAOYSA-N
XLogP3.41
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide?
The IUPAC name of 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide (CID 173338069) is 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide is CNc1ccc(Oc2ccccc2)nc1C(N)=Nc1nccs1.
What is the InChIKey of 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide?
The InChIKey is YYWCSEWWYBDALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-18-12-7-8-13(22-11-5-3-2-4-6-11)20-14(12)15(17)21-16-19-9-10-23-16/h2-10,18H,1H3,(H2,17,19,21).
What are the key properties of 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide?
3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide has a molecular weight of 325.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-phenoxy-N'-(1,3-thiazol-2-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 173338069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).