4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C15H24N2O2S — CID 114597307

IUPAC4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CC(C)C(C)N(c2nc(C(C)C)c(C(=O)O)s2)C1
InChIInChI=1S/C15H24N2O2S/c1-8(2)12-13(14(18)19)20-15(16-12)17-7-9(3)6-10(4)11(17)5/h8-11H,6-7H2,1-5H3,(H,18,19)
InChIKeyBGCNBNICEWBSPY-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.84
Rot. Bonds3

About 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114597307) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114597307
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CC(C)C(C)N(c2nc(C(C)C)c(C(=O)O)s2)C1
InChIInChI=1S/C15H24N2O2S/c1-8(2)12-13(14(18)19)20-15(16-12)17-7-9(3)6-10(4)11(17)5/h8-11H,6-7H2,1-5H3,(H,18,19)
InChIKeyBGCNBNICEWBSPY-UHFFFAOYSA-N
XLogP3.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 114597307) is 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is CC1CC(C)C(C)N(c2nc(C(C)C)c(C(=O)O)s2)C1.
What is the InChIKey of 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BGCNBNICEWBSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-8(2)12-13(14(18)19)20-15(16-12)17-7-9(3)6-10(4)11(17)5/h8-11H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114597307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).