2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid

C16H24N2O4S — CID 18969491

IUPAC2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(21)18-8-6-11(7-9-18)4-5-13-17-10-12(23-13)14(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyJFFBDPIXBOJOBK-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.42
Rot. Bonds4

About 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid

2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 18969491) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID18969491
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ncc(C(=O)O)s2)CC1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(21)18-8-6-11(7-9-18)4-5-13-17-10-12(23-13)14(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeyJFFBDPIXBOJOBK-UHFFFAOYSA-N
XLogP3.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid (CID 18969491) is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CCc2ncc(C(=O)O)s2)CC1.
What is the InChIKey of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JFFBDPIXBOJOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(21)18-8-6-11(7-9-18)4-5-13-17-10-12(23-13)14(19)20/h10-11H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 340.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18969491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).