4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole

C17H22N2S — CID 18187692

IUPAC4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESCc1cccc(Cc2nc(C)c(C3CCNCC3)s2)c1
InChIInChI=1S/C17H22N2S/c1-12-4-3-5-14(10-12)11-16-19-13(2)17(20-16)15-6-8-18-9-7-15/h3-5,10,15,18H,6-9,11H2,1-2H3
InChIKeyKIBDWKKYHZGJOR-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.82
Rot. Bonds3

About 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole

4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187692) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187692
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESCc1cccc(Cc2nc(C)c(C3CCNCC3)s2)c1
InChIInChI=1S/C17H22N2S/c1-12-4-3-5-14(10-12)11-16-19-13(2)17(20-16)15-6-8-18-9-7-15/h3-5,10,15,18H,6-9,11H2,1-2H3
InChIKeyKIBDWKKYHZGJOR-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (CID 18187692) is 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is Cc1cccc(Cc2nc(C)c(C3CCNCC3)s2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is KIBDWKKYHZGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12-4-3-5-14(10-12)11-16-19-13(2)17(20-16)15-6-8-18-9-7-15/h3-5,10,15,18H,6-9,11H2,1-2H3.
What are the key properties of 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 286.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).