(2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C11H16N2OS — CID 110465340

IUPAC(2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCCC2C)cs1
InChIInChI=1S/C11H16N2OS/c1-8-5-3-4-6-13(8)11(14)10-7-15-9(2)12-10/h7-8H,3-6H2,1-2H3
InChIKeyZSYZGHDCTBUPQU-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.47
Rot. Bonds1

About (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 110465340) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID110465340
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCCC2C)cs1
InChIInChI=1S/C11H16N2OS/c1-8-5-3-4-6-13(8)11(14)10-7-15-9(2)12-10/h7-8H,3-6H2,1-2H3
InChIKeyZSYZGHDCTBUPQU-UHFFFAOYSA-N
XLogP2.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 110465340) is (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCCC2C)cs1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is ZSYZGHDCTBUPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-5-3-4-6-13(8)11(14)10-7-15-9(2)12-10/h7-8H,3-6H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110465340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).