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

C14H14ClN3O2S — CID 68778558

IUPAC4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc(-c3ccccc3Cl)cs2)CC1
InChIInChI=1S/C14H14ClN3O2S/c15-11-4-2-1-3-10(11)12-9-21-13(16-12)17-5-7-18(8-6-17)14(19)20/h1-4,9H,5-8H2,(H,19,20)
InChIKeyIVAMGBBLKITTAZ-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.26
Rot. Bonds2

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

4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid (PubChem CID 68778558) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
PubChem CID68778558
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc(-c3ccccc3Cl)cs2)CC1
InChIInChI=1S/C14H14ClN3O2S/c15-11-4-2-1-3-10(11)12-9-21-13(16-12)17-5-7-18(8-6-17)14(19)20/h1-4,9H,5-8H2,(H,19,20)
InChIKeyIVAMGBBLKITTAZ-UHFFFAOYSA-N
XLogP3.26
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,3-dichlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68780120
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
1-[4-[4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758636
[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 133451629
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047336
2-methylpropyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 15984510
1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one
CID 133451493
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 143961926

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid (CID 68778558) is 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2nc(-c3ccccc3Cl)cs2)CC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The InChIKey is IVAMGBBLKITTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-11-4-2-1-3-10(11)12-9-21-13(16-12)17-5-7-18(8-6-17)14(19)20/h1-4,9H,5-8H2,(H,19,20).
What are the key properties of 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid has a molecular weight of 323.81 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68778558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).