4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole

C17H18N2S — CID 70315062

IUPAC4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(c2ccc(-c3cc(C)ccc3C)nc2)CS1
InChIInChI=1S/C17H18N2S/c1-11-4-5-12(2)15(8-11)16-7-6-14(9-18-16)17-10-20-13(3)19-17/h4-9,17H,10H2,1-3H3
InChIKeyQVBHDSYUUKSIBK-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.57
Rot. Bonds2

About 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole

4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 70315062) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole
PubChem CID70315062
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(c2ccc(-c3cc(C)ccc3C)nc2)CS1
InChIInChI=1S/C17H18N2S/c1-11-4-5-12(2)15(8-11)16-7-6-14(9-18-16)17-10-20-13(3)19-17/h4-9,17H,10H2,1-3H3
InChIKeyQVBHDSYUUKSIBK-UHFFFAOYSA-N
XLogP4.57
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole (CID 70315062) is 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole is CC1=NC(c2ccc(-c3cc(C)ccc3C)nc2)CS1.
What is the InChIKey of 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is QVBHDSYUUKSIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-4-5-12(2)15(8-11)16-7-6-14(9-18-16)17-10-20-13(3)19-17/h4-9,17H,10H2,1-3H3.
What are the key properties of 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole?
4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 282.41 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70315062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).