2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole

C18H18N2S — CID 11551077

IUPAC2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(C)c2)s1
InChIInChI=1S/C18H18N2S/c1-4-16-20-17(14-7-5-6-12(2)10-14)18(21-16)15-8-9-19-13(3)11-15/h5-11H,4H2,1-3H3
InChIKeyCCRKECOHESPDCA-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.05
Rot. Bonds3

About 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole

2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole (PubChem CID 11551077) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole
PubChem CID11551077
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(C)c2)s1
InChIInChI=1S/C18H18N2S/c1-4-16-20-17(14-7-5-6-12(2)10-14)18(21-16)15-8-9-19-13(3)11-15/h5-11H,4H2,1-3H3
InChIKeyCCRKECOHESPDCA-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole (CID 11551077) is 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(C)c2)s1.
What is the InChIKey of 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is CCRKECOHESPDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-4-16-20-17(14-7-5-6-12(2)10-14)18(21-16)15-8-9-19-13(3)11-15/h5-11H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole?
2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 294.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 11551077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).