4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid

C13H19N3O2S — CID 114358774

IUPAC4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(c1nc(C2CC2)c(C(=O)O)s1)N1CCNCC1
InChIInChI=1S/C13H19N3O2S/c1-8(16-6-4-14-5-7-16)12-15-10(9-2-3-9)11(19-12)13(17)18/h8-9,14H,2-7H2,1H3,(H,17,18)
InChIKeyYHYYTLJWFOWQDH-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.68
Rot. Bonds4

About 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114358774) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114358774
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(c1nc(C2CC2)c(C(=O)O)s1)N1CCNCC1
InChIInChI=1S/C13H19N3O2S/c1-8(16-6-4-14-5-7-16)12-15-10(9-2-3-9)11(19-12)13(17)18/h8-9,14H,2-7H2,1H3,(H,17,18)
InChIKeyYHYYTLJWFOWQDH-UHFFFAOYSA-N
XLogP1.68
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358418
methyl 4-tert-butyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylate
CID 114358772
methyl 2-(1-piperazin-1-ylethyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114358781
4-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360885
1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82122870
2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 63342292
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
CID 82117127
4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63915648

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid (CID 114358774) is 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid is CC(c1nc(C2CC2)c(C(=O)O)s1)N1CCNCC1.
What is the InChIKey of 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YHYYTLJWFOWQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8(16-6-4-14-5-7-16)12-15-10(9-2-3-9)11(19-12)13(17)18/h8-9,14H,2-7H2,1H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).