2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

C13H18N2O3S — CID 82155063

IUPAC2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(CC(=O)NC2CCCC2)sc1CC(=O)O
InChIInChI=1S/C13H18N2O3S/c1-8-10(6-13(17)18)19-12(14-8)7-11(16)15-9-4-2-3-5-9/h9H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyOAOBCGDKEVAGLP-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.68
Rot. Bonds5

About 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82155063) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82155063
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(CC(=O)NC2CCCC2)sc1CC(=O)O
InChIInChI=1S/C13H18N2O3S/c1-8-10(6-13(17)18)19-12(14-8)7-11(16)15-9-4-2-3-5-9/h9H,2-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyOAOBCGDKEVAGLP-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 43110631
N-cyclopropyl-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110374533
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
2-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82117421
2-[2-(3-cyclopentyl-2-hydroxypropyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 103156219
2-[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82054979
2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94761076
N-cyclopropyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328901
(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 51928928
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid (CID 82155063) is 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is Cc1nc(CC(=O)NC2CCCC2)sc1CC(=O)O.
What is the InChIKey of 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is OAOBCGDKEVAGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8-10(6-13(17)18)19-12(14-8)7-11(16)15-9-4-2-3-5-9/h9H,2-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 282.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82155063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).