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

C9H11BrN2O2S — CID 79398725

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1nc(Br)cs1
InChIInChI=1S/C9H11BrN2O2S/c10-7-4-15-9(12-7)11-6-3-1-2-5(6)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)
InChIKeyVXWOOVRXSBOTQS-UHFFFAOYSA-N
MW291.17 g/mol
LogP2.57
Rot. Bonds3

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

2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 79398725) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID79398725
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1nc(Br)cs1
InChIInChI=1S/C9H11BrN2O2S/c10-7-4-15-9(12-7)11-6-3-1-2-5(6)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)
InChIKeyVXWOOVRXSBOTQS-UHFFFAOYSA-N
XLogP2.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.57
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]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid (CID 79398725) is 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Nc1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VXWOOVRXSBOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c10-7-4-15-9(12-7)11-6-3-1-2-5(6)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid?
2-[(4-bromo-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 291.17 g/mol, XLogP of 2.57, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79398725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).