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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
N-(3-phenoxyphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 10291291
4-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765842
N-(2-methoxyphenyl)-4-(2-pyridinyl)-1,3-thiazol-2-amine
CID 704384
N-(4-methoxyphenyl)-4-(2-pyridinyl)-1,3-thiazol-2-amine
CID 704395
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-pyridin-3-yl-amine
CID 714205
US9034574, Xxv
CID 704405
N-(3-methoxyphenyl)-4-(pyridin-2-yl)-1,3-thiazol-2-amine
CID 972843
1-(4-Methoxy-phenyl)-3-(4-pyridin-2-yl-thiazol-2-yl)-urea
CID 10711231
1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-N-(4-methoxyphenyl)-3-piperidinamine
CID 45247633
N-[(E)-1-phenoxypropan-2-ylideneamino]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71457352
N-(4-methoxyphenyl)-4-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 122192396

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).