1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid

C14H20N2O3S — CID 63831519

IUPAC1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)NCCc1cscn1
InChIInChI=1S/C14H20N2O3S/c17-12(15-7-4-11-9-20-10-16-11)8-14(13(18)19)5-2-1-3-6-14/h9-10H,1-8H2,(H,15,17)(H,18,19)
InChIKeyXIGCMDBZIGQJSY-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.23
Rot. Bonds6

About 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid

1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid (PubChem CID 63831519) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
PubChem CID63831519
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)NCCc1cscn1
InChIInChI=1S/C14H20N2O3S/c17-12(15-7-4-11-9-20-10-16-11)8-14(13(18)19)5-2-1-3-6-14/h9-10H,1-8H2,(H,15,17)(H,18,19)
InChIKeyXIGCMDBZIGQJSY-UHFFFAOYSA-N
XLogP2.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclopentyl]acetic acid
CID 63830240
1-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
CID 64545613
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106394710
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106394720
1-[3-(1,3-thiazol-4-yl)propanoylamino]cycloheptane-1-carboxylic acid
CID 120538662
2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 62198087
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 115437889
1-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60941221
1-(N'-hydroxycarbamimidoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 77020373
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid (CID 63831519) is 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCC1)NCCc1cscn1.
What is the InChIKey of 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is XIGCMDBZIGQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-12(15-7-4-11-9-20-10-16-11)8-14(13(18)19)5-2-1-3-6-14/h9-10H,1-8H2,(H,15,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid?
1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63831519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).