2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid

C10H13BrN2O2S — CID 79398726

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Nc1nc(Br)cs1
InChIInChI=1S/C10H13BrN2O2S/c11-8-5-16-10(13-8)12-7-4-2-1-3-6(7)9(14)15/h5-7H,1-4H2,(H,12,13)(H,14,15)
InChIKeyOSHBGMYGLHGSLR-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.96
Rot. Bonds3

About 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid

2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79398726) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID79398726
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1Nc1nc(Br)cs1
InChIInChI=1S/C10H13BrN2O2S/c11-8-5-16-10(13-8)12-7-4-2-1-3-6(7)9(14)15/h5-7H,1-4H2,(H,12,13)(H,14,15)
InChIKeyOSHBGMYGLHGSLR-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid (CID 79398726) is 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1Nc1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is OSHBGMYGLHGSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-8-5-16-10(13-8)12-7-4-2-1-3-6(7)9(14)15/h5-7H,1-4H2,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 305.20 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79398726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).