4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

C12H10N2OS — CID 11514153

IUPAC4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)5-3-10-4-6-12(15-2)13-7-10/h4,6-8H,1-2H3
InChIKeySYYCVTWAHZNFIF-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.25
Rot. Bonds1

About 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole

4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (PubChem CID 11514153) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
PubChem CID11514153
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(C#Cc2csc(C)n2)cn1
InChIInChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)5-3-10-4-6-12(15-2)13-7-10/h4,6-8H,1-2H3
InChIKeySYYCVTWAHZNFIF-UHFFFAOYSA-N
XLogP2.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole (CID 11514153) is 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is COc1ccc(C#Cc2csc(C)n2)cn1.
What is the InChIKey of 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is SYYCVTWAHZNFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)5-3-10-4-6-12(15-2)13-7-10/h4,6-8H,1-2H3.
What are the key properties of 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole?
4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 230.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxy-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 11514153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).