(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone

C16H20N2OS2 — CID 70724327

IUPAC(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2CCc2cccs2)cs1
InChIInChI=1S/C16H20N2OS2/c1-12-17-15(11-21-12)16(19)18-9-3-2-5-13(18)7-8-14-6-4-10-20-14/h4,6,10-11,13H,2-3,5,7-9H2,1H3
InChIKeyXWJYKKOCZONRKN-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.14
Rot. Bonds4

About (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 70724327) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
PubChem CID70724327
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2CCc2cccs2)cs1
InChIInChI=1S/C16H20N2OS2/c1-12-17-15(11-21-12)16(19)18-9-3-2-5-13(18)7-8-14-6-4-10-20-14/h4,6,10-11,13H,2-3,5,7-9H2,1H3
InChIKeyXWJYKKOCZONRKN-UHFFFAOYSA-N
XLogP4.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553449
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70733217
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 126447398
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561
[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329
(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131914126

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone (CID 70724327) is (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2CCc2cccs2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is XWJYKKOCZONRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-12-17-15(11-21-12)16(19)18-9-3-2-5-13(18)7-8-14-6-4-10-20-14/h4,6,10-11,13H,2-3,5,7-9H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 320.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70724327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).