[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone

C20H27N3OS — CID 155205888

IUPAC[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(C)C(C(C)C)C3)s2)cn1
InChIInChI=1S/C20H27N3OS/c1-12(2)17-11-23(9-8-13(17)3)20(24)18-15(5)22-19(25-18)16-7-6-14(4)21-10-16/h6-7,10,12-13,17H,8-9,11H2,1-5H3
InChIKeyBFIJZUZQFFTDHL-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.58
Rot. Bonds3

About [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone

[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155205888) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155205888
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(C)C(C(C)C)C3)s2)cn1
InChIInChI=1S/C20H27N3OS/c1-12(2)17-11-23(9-8-13(17)3)20(24)18-15(5)22-19(25-18)16-7-6-14(4)21-10-16/h6-7,10,12-13,17H,8-9,11H2,1-5H3
InChIKeyBFIJZUZQFFTDHL-UHFFFAOYSA-N
XLogP4.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone (CID 155205888) is [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone is Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C)C(C(C)C)C3)s2)cn1.
What is the InChIKey of [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is BFIJZUZQFFTDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-12(2)17-11-23(9-8-13(17)3)20(24)18-15(5)22-19(25-18)16-7-6-14(4)21-10-16/h6-7,10,12-13,17H,8-9,11H2,1-5H3.
What are the key properties of [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone?
[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 357.52 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-(4-methyl-3-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155205888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).