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

C17H22N2OS — CID 18187787

IUPAC2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
SMILESCOc1ccc(Cc2nc(C)c(C3CCNCC3)s2)cc1
InChIInChI=1S/C17H22N2OS/c1-12-17(14-7-9-18-10-8-14)21-16(19-12)11-13-3-5-15(20-2)6-4-13/h3-6,14,18H,7-11H2,1-2H3
InChIKeyLKCYTNKKTCOVOB-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.52
Rot. Bonds4

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

2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187787) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187787
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
SMILESCOc1ccc(Cc2nc(C)c(C3CCNCC3)s2)cc1
InChIInChI=1S/C17H22N2OS/c1-12-17(14-7-9-18-10-8-14)21-16(19-12)11-13-3-5-15(20-2)6-4-13/h3-6,14,18H,7-11H2,1-2H3
InChIKeyLKCYTNKKTCOVOB-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole (CID 18187787) is 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole is COc1ccc(Cc2nc(C)c(C3CCNCC3)s2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is LKCYTNKKTCOVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-17(14-7-9-18-10-8-14)21-16(19-12)11-13-3-5-15(20-2)6-4-13/h3-6,14,18H,7-11H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole?
2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 302.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).