1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid

C11H16N2O2S — CID 82238390

IUPAC1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NCc2nccs2)CCCCC1
InChIInChI=1S/C11H16N2O2S/c14-10(15)11(4-2-1-3-5-11)13-8-9-12-6-7-16-9/h6-7,13H,1-5,8H2,(H,14,15)
InChIKeyBJBKSPBZZLEWNG-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.02
Rot. Bonds4

About 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid

1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid (PubChem CID 82238390) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid
PubChem CID82238390
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NCc2nccs2)CCCCC1
InChIInChI=1S/C11H16N2O2S/c14-10(15)11(4-2-1-3-5-11)13-8-9-12-6-7-16-9/h6-7,13H,1-5,8H2,(H,14,15)
InChIKeyBJBKSPBZZLEWNG-UHFFFAOYSA-N
XLogP2.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 54962816
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
1-(pyridin-2-ylmethylamino)cyclopentane-1-carboxylic acid
CID 71565011
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-[(5-methylpyrazin-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 114997429
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934531
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 81167359
1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116550466
4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126930

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid (CID 82238390) is 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1(NCc2nccs2)CCCCC1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is BJBKSPBZZLEWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-10(15)11(4-2-1-3-5-11)13-8-9-12-6-7-16-9/h6-7,13H,1-5,8H2,(H,14,15).
What are the key properties of 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid?
1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82238390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).