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

C11H15BrN2O2S — CID 79399207

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid
SMILESO=C(O)C(Nc1nc(Br)cs1)C1CCCCC1
InChIInChI=1S/C11H15BrN2O2S/c12-8-6-17-11(13-8)14-9(10(15)16)7-4-2-1-3-5-7/h6-7,9H,1-5H2,(H,13,14)(H,15,16)
InChIKeyNVEKYIKFGBXSOG-UHFFFAOYSA-N
MW319.22 g/mol
LogP3.35
Rot. Bonds4

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

2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid (PubChem CID 79399207) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid
PubChem CID79399207
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid
SMILESO=C(O)C(Nc1nc(Br)cs1)C1CCCCC1
InChIInChI=1S/C11H15BrN2O2S/c12-8-6-17-11(13-8)14-9(10(15)16)7-4-2-1-3-5-7/h6-7,9H,1-5H2,(H,13,14)(H,15,16)
InChIKeyNVEKYIKFGBXSOG-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 53.35
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]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid (CID 79399207) is 2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid is O=C(O)C(Nc1nc(Br)cs1)C1CCCCC1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid?
The InChIKey is NVEKYIKFGBXSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-8-6-17-11(13-8)14-9(10(15)16)7-4-2-1-3-5-7/h6-7,9H,1-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid?
2-[(4-bromo-1,3-thiazol-2-yl)amino]-2-cyclohexylacetic acid has a molecular weight of 319.22 g/mol, XLogP of 3.35, 4 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]-2-cyclohexylacetic acid is sourced from PubChem (CID 79399207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).