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

C13H18N2O3S — CID 61070753

IUPAC2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1csc(NC(=O)CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C13H18N2O3S/c1-9-8-19-12(14-9)15-10(16)6-13(7-11(17)18)4-2-3-5-13/h8H,2-7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyGBXOUBGFUVGWFW-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.82
Rot. Bonds5

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

2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61070753) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61070753
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1csc(NC(=O)CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C13H18N2O3S/c1-9-8-19-12(14-9)15-10(16)6-13(7-11(17)18)4-2-3-5-13/h8H,2-7H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyGBXOUBGFUVGWFW-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235067
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 17349285
2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114931870
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-[1-[2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86972048
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839667
1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433243
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51098350
2-[1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 17349282
2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61070753) is 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is Cc1csc(NC(=O)CC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is GBXOUBGFUVGWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-8-19-12(14-9)15-10(16)6-13(7-11(17)18)4-2-3-5-13/h8H,2-7H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 282.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).