2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

C14H19N3O3S — CID 116697045

IUPAC2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C14H19N3O3S/c18-13(12-15-11(9-21-12)14(19)20)17-7-5-16(6-8-17)10-3-1-2-4-10/h9-10H,1-8H2,(H,19,20)
InChIKeyFJFIKKHNRCPPOI-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.54
Rot. Bonds3

About 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116697045) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116697045
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)N2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C14H19N3O3S/c18-13(12-15-11(9-21-12)14(19)20)17-7-5-16(6-8-17)10-3-1-2-4-10/h9-10H,1-8H2,(H,19,20)
InChIKeyFJFIKKHNRCPPOI-UHFFFAOYSA-N
XLogP1.54
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696809
2-(3-hydroxypyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697079
2-(4-tert-butylazepane-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697187
2-(4-ethylazepane-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697184
2-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697149
(4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807179
2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 103357450
(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 131931854
(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619747
2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697235
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
2-(morpholine-4-carbonyl)-1,3-thiazole-4-carboxamide
CID 174869573

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (CID 116697045) is 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)N2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is FJFIKKHNRCPPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-13(12-15-11(9-21-12)14(19)20)17-7-5-16(6-8-17)10-3-1-2-4-10/h9-10H,1-8H2,(H,19,20).
What are the key properties of 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).