3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole

C20H23NS — CID 71294892

IUPAC3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole
SMILESCC1=C(C)N(c2c(C)cccc2-c2cc(C)cc(C)c2)CS1
InChIInChI=1S/C20H23NS/c1-13-9-14(2)11-18(10-13)19-8-6-7-15(3)20(19)21-12-22-17(5)16(21)4/h6-11H,12H2,1-5H3
InChIKeyHAUQKLZAHFSYRF-UHFFFAOYSA-N
MW309.48 g/mol
LogP6.04
Rot. Bonds2

About 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole

3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole (PubChem CID 71294892) has the molecular formula C20H23NS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole
PubChem CID71294892
Molecular FormulaC20H23NS
Molecular Weight309.48 g/mol
Exact Mass309.16
IUPAC Name3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole
SMILESCC1=C(C)N(c2c(C)cccc2-c2cc(C)cc(C)c2)CS1
InChIInChI=1S/C20H23NS/c1-13-9-14(2)11-18(10-13)19-8-6-7-15(3)20(19)21-12-22-17(5)16(21)4/h6-11H,12H2,1-5H3
InChIKeyHAUQKLZAHFSYRF-UHFFFAOYSA-N
XLogP6.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole?
The IUPAC name of 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole (CID 71294892) is 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole.
What is the SMILES notation for 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole?
The canonical SMILES for 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole is CC1=C(C)N(c2c(C)cccc2-c2cc(C)cc(C)c2)CS1.
What is the InChIKey of 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole?
The InChIKey is HAUQKLZAHFSYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NS/c1-13-9-14(2)11-18(10-13)19-8-6-7-15(3)20(19)21-12-22-17(5)16(21)4/h6-11H,12H2,1-5H3.
What are the key properties of 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole?
3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole has a molecular weight of 309.48 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole is sourced from PubChem (CID 71294892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).