3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine

C19H18N4OS — CID 11462241

IUPAC3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine
SMILESCCOc1cc(C#Cc2csc(C)n2)cnc1Nc1cccc(C)n1
InChIInChI=1S/C19H18N4OS/c1-4-24-17-10-15(8-9-16-12-25-14(3)22-16)11-20-19(17)23-18-7-5-6-13(2)21-18/h5-7,10-12H,4H2,1-3H3,(H,20,21,23)
InChIKeyFUDRRGCGPZKVKH-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.09
Rot. Bonds4

About 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine

3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine (PubChem CID 11462241) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine
PubChem CID11462241
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine
SMILESCCOc1cc(C#Cc2csc(C)n2)cnc1Nc1cccc(C)n1
InChIInChI=1S/C19H18N4OS/c1-4-24-17-10-15(8-9-16-12-25-14(3)22-16)11-20-19(17)23-18-7-5-6-13(2)21-18/h5-7,10-12H,4H2,1-3H3,(H,20,21,23)
InChIKeyFUDRRGCGPZKVKH-UHFFFAOYSA-N
XLogP4.09
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine with MolForge

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Related Compounds

Hpk1-IN-26
CID 122197569
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
N-(3-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329397
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
2-(2-(4-Methylthiazol-2-ylamino)pyridin-3-yloxy)benzonitrile
CID 16752714
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
5-[2-(1-Ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
CID 162672976
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-[6-[[(2R)-pyrrolidin-2-yl]methoxy]-2-pyridinyl]urea
CID 9952613
3-(Benzyloxy)-5-bromo-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16061466
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 16660170
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine?
The IUPAC name of 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine (CID 11462241) is 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine.
What is the SMILES notation for 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine?
The canonical SMILES for 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine is CCOc1cc(C#Cc2csc(C)n2)cnc1Nc1cccc(C)n1.
What is the InChIKey of 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine?
The InChIKey is FUDRRGCGPZKVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-4-24-17-10-15(8-9-16-12-25-14(3)22-16)11-20-19(17)23-18-7-5-6-13(2)21-18/h5-7,10-12H,4H2,1-3H3,(H,20,21,23).
What are the key properties of 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine?
3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine has a molecular weight of 350.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(6-methyl-2-pyridinyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine is sourced from PubChem (CID 11462241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).