2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid

C8H9BrN2O2S — CID 79400566

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(c1nc(Br)cs1)C1CC1
InChIInChI=1S/C8H9BrN2O2S/c9-6-4-14-8(10-6)11(3-7(12)13)5-1-2-5/h4-5H,1-3H2,(H,12,13)
InChIKeyZVPARRVRTFWLOE-UHFFFAOYSA-N
MW277.14 g/mol
LogP1.96
Rot. Bonds4

About 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid

2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid (PubChem CID 79400566) has the molecular formula C8H9BrN2O2S and a molecular weight of 277.14 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid
PubChem CID79400566
Molecular FormulaC8H9BrN2O2S
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(c1nc(Br)cs1)C1CC1
InChIInChI=1S/C8H9BrN2O2S/c9-6-4-14-8(10-6)11(3-7(12)13)5-1-2-5/h4-5H,1-3H2,(H,12,13)
InChIKeyZVPARRVRTFWLOE-UHFFFAOYSA-N
XLogP1.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
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)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid (CID 79400566) is 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid is O=C(O)CN(c1nc(Br)cs1)C1CC1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid?
The InChIKey is ZVPARRVRTFWLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c9-6-4-14-8(10-6)11(3-7(12)13)5-1-2-5/h4-5H,1-3H2,(H,12,13).
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid?
2-[(4-bromo-1,3-thiazol-2-yl)-cyclopropylamino]acetic acid has a molecular weight of 277.14 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 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)-cyclopropylamino]acetic acid is sourced from PubChem (CID 79400566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).