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

C10H15N3O2S — CID 71633476

IUPAC4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
SMILESCC(c1nccs1)N1CCNC(C(=O)O)C1
InChIInChI=1S/C10H15N3O2S/c1-7(9-12-3-5-16-9)13-4-2-11-8(6-13)10(14)15/h3,5,7-8,11H,2,4,6H2,1H3,(H,14,15)
InChIKeyVJOJGQJLRCUZCS-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.56
Rot. Bonds3

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

4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid (PubChem CID 71633476) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
PubChem CID71633476
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
SMILESCC(c1nccs1)N1CCNC(C(=O)O)C1
InChIInChI=1S/C10H15N3O2S/c1-7(9-12-3-5-16-9)13-4-2-11-8(6-13)10(14)15/h3,5,7-8,11H,2,4,6H2,1H3,(H,14,15)
InChIKeyVJOJGQJLRCUZCS-UHFFFAOYSA-N
XLogP0.56
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851
2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64949839
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637692
(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065474
2-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]-1,3-thiazole
CID 79939420
2-[1-(3,3-diethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64953645
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204
1-[2-(1,3-thiazol-2-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128675

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid (CID 71633476) is 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid is CC(c1nccs1)N1CCNC(C(=O)O)C1.
What is the InChIKey of 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid?
The InChIKey is VJOJGQJLRCUZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(9-12-3-5-16-9)13-4-2-11-8(6-13)10(14)15/h3,5,7-8,11H,2,4,6H2,1H3,(H,14,15).
What are the key properties of 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid?
4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 71633476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).