2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C16H26N2OS — CID 53016869

IUPAC2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C16H26N2OS/c1-11(2)13-10-20-14(17-13)12-7-6-8-18(9-12)15(19)16(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyQSAMYNNJZPXKSH-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.02
Rot. Bonds2

About 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 53016869) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID53016869
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C16H26N2OS/c1-11(2)13-10-20-14(17-13)12-7-6-8-18(9-12)15(19)16(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyQSAMYNNJZPXKSH-UHFFFAOYSA-N
XLogP4.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 53016869) is 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is CC(C)c1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1.
What is the InChIKey of 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is QSAMYNNJZPXKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11(2)13-10-20-14(17-13)12-7-6-8-18(9-12)15(19)16(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 294.46 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53016869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).