[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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Related Compounds

1-[(3R,4R)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-one
CID 138608154
(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 67965088
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 154737683
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 115966049
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110888004
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 59457497
(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95056455
[4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(3R,4R)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carbonyl]-3-phenylpiperidin-4-yl]methanone
CID 175215038
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119595537
(2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084158

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).