(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C15H18N2OS2 — CID 46549349

IUPAC(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C15H18N2OS2/c1-10-5-11(2)7-17(6-10)15(18)13-9-20-14(16-13)12-3-4-19-8-12/h3-4,8-11H,5-7H2,1-2H3
InChIKeyWDFZASLZHMPBBQ-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.99
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 46549349) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID46549349
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C15H18N2OS2/c1-10-5-11(2)7-17(6-10)15(18)13-9-20-14(16-13)12-3-4-19-8-12/h3-4,8-11H,5-7H2,1-2H3
InChIKeyWDFZASLZHMPBBQ-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 106671715
(3-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549382
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 43016811
(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 122149093
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58924835
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 36840265
(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 51266752
5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117889
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 81197766
1-[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117917

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 46549349) is (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is CC1CC(C)CN(C(=O)c2csc(-c3ccsc3)n2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is WDFZASLZHMPBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10-5-11(2)7-17(6-10)15(18)13-9-20-14(16-13)12-3-4-19-8-12/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 306.46 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 46549349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).