2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

C14H14ClN3O2S — CID 62753823

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C14H14ClN3O2S/c15-10-2-1-3-11(8-10)17-4-6-18(7-5-17)14-16-9-12(21-14)13(19)20/h1-3,8-9H,4-7H2,(H,19,20)
InChIKeySOKXBGQUNMMOTJ-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 62753823) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID62753823
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C14H14ClN3O2S/c15-10-2-1-3-11(8-10)17-4-6-18(7-5-17)14-16-9-12(21-14)13(19)20/h1-3,8-9H,4-7H2,(H,19,20)
InChIKeySOKXBGQUNMMOTJ-UHFFFAOYSA-N
XLogP2.82
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[4-(3-chlorophenyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 20951988
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62968494
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757449
2-[4-[3-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 68946323
1-(3-chlorophenyl)azonane
CID 145391535
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 62753823) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)s1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is SOKXBGQUNMMOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-10-2-1-3-11(8-10)17-4-6-18(7-5-17)14-16-9-12(21-14)13(19)20/h1-3,8-9H,4-7H2,(H,19,20).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 323.81 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62753823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).