4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid

C14H13Cl2N3O2S — CID 68780120

IUPAC4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc(-c3cccc(Cl)c3Cl)cs2)CC1
InChIInChI=1S/C14H13Cl2N3O2S/c15-10-3-1-2-9(12(10)16)11-8-22-13(17-11)18-4-6-19(7-5-18)14(20)21/h1-3,8H,4-7H2,(H,20,21)
InChIKeyAGXIUASCGASVDN-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.92
Rot. Bonds2

About 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid

4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid (PubChem CID 68780120) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
PubChem CID68780120
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC Name4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc(-c3cccc(Cl)c3Cl)cs2)CC1
InChIInChI=1S/C14H13Cl2N3O2S/c15-10-3-1-2-9(12(10)16)11-8-22-13(17-11)18-4-6-19(7-5-18)14(20)21/h1-3,8H,4-7H2,(H,20,21)
InChIKeyAGXIUASCGASVDN-UHFFFAOYSA-N
XLogP3.92
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid (CID 68780120) is 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2nc(-c3cccc(Cl)c3Cl)cs2)CC1.
What is the InChIKey of 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The InChIKey is AGXIUASCGASVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c15-10-3-1-2-9(12(10)16)11-8-22-13(17-11)18-4-6-19(7-5-18)14(20)21/h1-3,8H,4-7H2,(H,20,21).
What are the key properties of 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid has a molecular weight of 358.25 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68780120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).