2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid

C11H14N2O3S — CID 82154985

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(Cc1nc(C(=O)O)cs1)NC1CCCC1
InChIInChI=1S/C11H14N2O3S/c14-9(12-7-3-1-2-4-7)5-10-13-8(6-17-10)11(15)16/h6-7H,1-5H2,(H,12,14)(H,15,16)
InChIKeyBLAWZKUTSRBUCU-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 82154985) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID82154985
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(Cc1nc(C(=O)O)cs1)NC1CCCC1
InChIInChI=1S/C11H14N2O3S/c14-9(12-7-3-1-2-4-7)5-10-13-8(6-17-10)11(15)16/h6-7H,1-5H2,(H,12,14)(H,15,16)
InChIKeyBLAWZKUTSRBUCU-UHFFFAOYSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide
CID 16768363
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 16767849
2-[(cycloheptanecarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380665
2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 105360892
2-[[(2-cyclopentyloxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244819
2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120628332
2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374029
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
2-[(thiane-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 80594027

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid (CID 82154985) is 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid is O=C(Cc1nc(C(=O)O)cs1)NC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BLAWZKUTSRBUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-9(12-7-3-1-2-4-7)5-10-13-8(6-17-10)11(15)16/h6-7H,1-5H2,(H,12,14)(H,15,16).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82154985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).