N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine

C8H10BrN3S — CID 79398675

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine
SMILESBrc1csc(NC2C3CNCC32)n1
InChIInChI=1S/C8H10BrN3S/c9-6-3-13-8(11-6)12-7-4-1-10-2-5(4)7/h3-5,7,10H,1-2H2,(H,11,12)
InChIKeyWYRVVRYBAMIWBL-UHFFFAOYSA-N
MW260.16 g/mol
LogP1.54
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine

N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine (PubChem CID 79398675) has the molecular formula C8H10BrN3S and a molecular weight of 260.16 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine
PubChem CID79398675
Molecular FormulaC8H10BrN3S
Molecular Weight260.16 g/mol
Exact Mass258.98
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine
SMILESBrc1csc(NC2C3CNCC32)n1
InChIInChI=1S/C8H10BrN3S/c9-6-3-13-8(11-6)12-7-4-1-10-2-5(4)7/h3-5,7,10H,1-2H2,(H,11,12)
InChIKeyWYRVVRYBAMIWBL-UHFFFAOYSA-N
XLogP1.54
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine (CID 79398675) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine is Brc1csc(NC2C3CNCC32)n1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine?
The InChIKey is WYRVVRYBAMIWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3S/c9-6-3-13-8(11-6)12-7-4-1-10-2-5(4)7/h3-5,7,10H,1-2H2,(H,11,12).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine has a molecular weight of 260.16 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1,3-thiazol-2-amine is sourced from PubChem (CID 79398675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).