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

C13H12N2OS — CID 10354477

IUPAC4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOCc1cncc(C#Cc2csc(C)n2)c1
InChIInChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3
InChIKeyAWDRAHDWMICWJM-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.39
Rot. Bonds2

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

4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 10354477) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID10354477
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCOCc1cncc(C#Cc2csc(C)n2)c1
InChIInChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3
InChIKeyAWDRAHDWMICWJM-UHFFFAOYSA-N
XLogP2.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.39
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

3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
3-[(2,5-Dimethyl-4-thiazolyl)ethynyl]pyridine
CID 11615445
3-[(5-Ethyl-2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11572145
2-(2-Methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
CID 57384103
2-Methoxy-3-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11499598
4-[2-(5-Ethynyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole
CID 11514100
2-Methoxy-5-(2-(2-methylthiazol-4-yl)ethynyl)pyridine
CID 11514153
3-[5-[(2-Methyl-4-thiazolyl)ethynyl]-3-pyridyl]-2-propyn-1-ol
CID 11608542
3-Methyl-5-(2-methyl-thiazol-4-ylethynyl)-pyridine
CID 16662881
2-Methyl-4-[2-[5-(tritritiomethoxymethyl)-3-pyridinyl]ethynyl]-1,3-thiazole
CID 49799887
4-Methyl-2-(2-pyridin-3-ylethynyl)-1,3-thiazole
CID 71720153

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 10354477) is 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is COCc1cncc(C#Cc2csc(C)n2)c1.
What is the InChIKey of 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is AWDRAHDWMICWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3.
What are the key properties of 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 244.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(methoxymethyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 10354477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).