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

C14H20N2O2S — CID 110244570

IUPAC2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)c2nccs2)CC1
InChIInChI=1S/C14H20N2O2S/c1-14(2,3)13(18)16-7-4-10(5-8-16)11(17)12-15-6-9-19-12/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyREAWLVPWUSBMAQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.61
Rot. Bonds2

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

2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 110244570) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID110244570
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C(=O)c2nccs2)CC1
InChIInChI=1S/C14H20N2O2S/c1-14(2,3)13(18)16-7-4-10(5-8-16)11(17)12-15-6-9-19-12/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyREAWLVPWUSBMAQ-UHFFFAOYSA-N
XLogP2.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one (CID 110244570) is 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(C(=O)c2nccs2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is REAWLVPWUSBMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(2,3)13(18)16-7-4-10(5-8-16)11(17)12-15-6-9-19-12/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 280.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110244570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).