2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole

C22H25N3S — CID 165420034

IUPAC2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole
SMILESCc1ccc(CN2CCC(c3ccccc3)(c3csc(C)n3)CC2)cn1
InChIInChI=1S/C22H25N3S/c1-17-8-9-19(14-23-17)15-25-12-10-22(11-13-25,20-6-4-3-5-7-20)21-16-26-18(2)24-21/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyFIIRLXMEAQOWTC-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.74
Rot. Bonds4

About 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole

2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole (PubChem CID 165420034) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole
PubChem CID165420034
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC Name2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole
SMILESCc1ccc(CN2CCC(c3ccccc3)(c3csc(C)n3)CC2)cn1
InChIInChI=1S/C22H25N3S/c1-17-8-9-19(14-23-17)15-25-12-10-22(11-13-25,20-6-4-3-5-7-20)21-16-26-18(2)24-21/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyFIIRLXMEAQOWTC-UHFFFAOYSA-N
XLogP4.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole (CID 165420034) is 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole is Cc1ccc(CN2CCC(c3ccccc3)(c3csc(C)n3)CC2)cn1.
What is the InChIKey of 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole?
The InChIKey is FIIRLXMEAQOWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-17-8-9-19(14-23-17)15-25-12-10-22(11-13-25,20-6-4-3-5-7-20)21-16-26-18(2)24-21/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole?
2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole has a molecular weight of 363.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 165420034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).