4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole

C16H20N2S — CID 23741861

IUPAC4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole
SMILESCc1ccc(C)c(-c2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C16H20N2S/c1-12-6-7-13(2)14(10-12)15-11-19-16(17-15)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyJNHFQADDODWGGF-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.42
Rot. Bonds2

About 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole

4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole (PubChem CID 23741861) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole
PubChem CID23741861
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole
SMILESCc1ccc(C)c(-c2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C16H20N2S/c1-12-6-7-13(2)14(10-12)15-11-19-16(17-15)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyJNHFQADDODWGGF-UHFFFAOYSA-N
XLogP4.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole (CID 23741861) is 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole is Cc1ccc(C)c(-c2csc(N3CCCCC3)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is JNHFQADDODWGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-6-7-13(2)14(10-12)15-11-19-16(17-15)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole?
4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 272.42 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 23741861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).