2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid

C11H14ClN3O3S — CID 78979405

IUPAC2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid
SMILESNC(=O)CC1CCN(c2nc(Cl)c(C(=O)O)s2)CC1
InChIInChI=1S/C11H14ClN3O3S/c12-9-8(10(17)18)19-11(14-9)15-3-1-6(2-4-15)5-7(13)16/h6H,1-5H2,(H2,13,16)(H,17,18)
InChIKeyNFPRUZGJJTZSNJ-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.59
Rot. Bonds4

About 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid

2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid (PubChem CID 78979405) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid
PubChem CID78979405
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid
SMILESNC(=O)CC1CCN(c2nc(Cl)c(C(=O)O)s2)CC1
InChIInChI=1S/C11H14ClN3O3S/c12-9-8(10(17)18)19-11(14-9)15-3-1-6(2-4-15)5-7(13)16/h6H,1-5H2,(H2,13,16)(H,17,18)
InChIKeyNFPRUZGJJTZSNJ-UHFFFAOYSA-N
XLogP1.59
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid (CID 78979405) is 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid is NC(=O)CC1CCN(c2nc(Cl)c(C(=O)O)s2)CC1.
What is the InChIKey of 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid?
The InChIKey is NFPRUZGJJTZSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-9-8(10(17)18)19-11(14-9)15-3-1-6(2-4-15)5-7(13)16/h6H,1-5H2,(H2,13,16)(H,17,18).
What are the key properties of 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid?
2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid has a molecular weight of 303.77 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-chloro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 78979405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).