4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C18H14N2OS — CID 11673933

IUPAC4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2cncc(C#Cc3csc(C)n3)c2)cc1
InChIInChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)6-3-14-9-16(11-19-10-14)15-4-7-18(21-2)8-5-15/h4-5,7-12H,1-2H3
InChIKeyHRXXCCBTQISFLQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.92
Rot. Bonds2

About 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 11673933) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID11673933
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2cncc(C#Cc3csc(C)n3)c2)cc1
InChIInChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)6-3-14-9-16(11-19-10-14)15-4-7-18(21-2)8-5-15/h4-5,7-12H,1-2H3
InChIKeyHRXXCCBTQISFLQ-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
CID 57384103
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-pyridin-3-yl-1,3-thiazole
CID 675494
{4-Methoxy-2-[(2-pyridinylthio)methyl]benzylidene}malononitrile
CID 873338
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
3-(4-Methoxy-phenyl)-1-methyl-5-thiazol-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 9885954
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 10475456
3-(4-Cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
CID 10949738
2-Methoxy-3-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11499598
2-Methoxy-5-(2-(2-methylthiazol-4-yl)ethynyl)pyridine
CID 11514153
US11608337, Example 15
CID 132085798

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 11673933) is 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is COc1ccc(-c2cncc(C#Cc3csc(C)n3)c2)cc1.
What is the InChIKey of 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is HRXXCCBTQISFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)6-3-14-9-16(11-19-10-14)15-4-7-18(21-2)8-5-15/h4-5,7-12H,1-2H3.
What are the key properties of 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 306.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(4-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 11673933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).