5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole

C13H12N2S — CID 11572145

IUPAC5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole
SMILESCCc1sc(C)nc1C#Cc1cccnc1
InChIInChI=1S/C13H12N2S/c1-3-13-12(15-10(2)16-13)7-6-11-5-4-8-14-9-11/h4-5,8-9H,3H2,1-2H3
InChIKeySJJSHLRFCBWELS-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.81
Rot. Bonds1

About 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole

5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole (PubChem CID 11572145) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole
PubChem CID11572145
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole
SMILESCCc1sc(C)nc1C#Cc1cccnc1
InChIInChI=1S/C13H12N2S/c1-3-13-12(15-10(2)16-13)7-6-11-5-4-8-14-9-11/h4-5,8-9H,3H2,1-2H3
InChIKeySJJSHLRFCBWELS-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
CID 16662948
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
4-(3-Pyridylethynyl)-2-thiazolylamine
CID 11564671

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole?
The IUPAC name of 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole (CID 11572145) is 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole is CCc1sc(C)nc1C#Cc1cccnc1.
What is the InChIKey of 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole?
The InChIKey is SJJSHLRFCBWELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-3-13-12(15-10(2)16-13)7-6-11-5-4-8-14-9-11/h4-5,8-9H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole?
5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole has a molecular weight of 228.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole is sourced from PubChem (CID 11572145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).