2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole

C21H24N2S — CID 154070969

IUPAC2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole
SMILESCCc1ccncc1-c1nc(-c2ccc(CC(C)C)cc2)c(C)s1
InChIInChI=1S/C21H24N2S/c1-5-17-10-11-22-13-19(17)21-23-20(15(4)24-21)18-8-6-16(7-9-18)12-14(2)3/h6-11,13-14H,5,12H2,1-4H3
InChIKeyOBEAOCSBVATWSP-UHFFFAOYSA-N
MW336.50 g/mol
LogP5.94
Rot. Bonds5

About 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole

2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole (PubChem CID 154070969) has the molecular formula C21H24N2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole
PubChem CID154070969
Molecular FormulaC21H24N2S
Molecular Weight336.50 g/mol
Exact Mass336.17
IUPAC Name2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole
SMILESCCc1ccncc1-c1nc(-c2ccc(CC(C)C)cc2)c(C)s1
InChIInChI=1S/C21H24N2S/c1-5-17-10-11-22-13-19(17)21-23-20(15(4)24-21)18-8-6-16(7-9-18)12-14(2)3/h6-11,13-14H,5,12H2,1-4H3
InChIKeyOBEAOCSBVATWSP-UHFFFAOYSA-N
XLogP5.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole (CID 154070969) is 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole is CCc1ccncc1-c1nc(-c2ccc(CC(C)C)cc2)c(C)s1.
What is the InChIKey of 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole?
The InChIKey is OBEAOCSBVATWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2S/c1-5-17-10-11-22-13-19(17)21-23-20(15(4)24-21)18-8-6-16(7-9-18)12-14(2)3/h6-11,13-14H,5,12H2,1-4H3.
What are the key properties of 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole?
2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole has a molecular weight of 336.50 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 154070969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).