4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine

C9H11BrN2S — CID 167081568

IUPAC4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine
SMILESNC1CC2(c3ncc(Br)s3)CCC12
InChIInChI=1S/C9H11BrN2S/c10-7-4-12-8(13-7)9-2-1-5(9)6(11)3-9/h4-6H,1-3,11H2
InChIKeyWQSKFPUYWUBFHA-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.28
Rot. Bonds1

About 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine

4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine (PubChem CID 167081568) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine
PubChem CID167081568
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC Name4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine
SMILESNC1CC2(c3ncc(Br)s3)CCC12
InChIInChI=1S/C9H11BrN2S/c10-7-4-12-8(13-7)9-2-1-5(9)6(11)3-9/h4-6H,1-3,11H2
InChIKeyWQSKFPUYWUBFHA-UHFFFAOYSA-N
XLogP2.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine?
The IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine (CID 167081568) is 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine.
What is the SMILES notation for 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine?
The canonical SMILES for 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine is NC1CC2(c3ncc(Br)s3)CCC12.
What is the InChIKey of 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine?
The InChIKey is WQSKFPUYWUBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/c10-7-4-12-8(13-7)9-2-1-5(9)6(11)3-9/h4-6H,1-3,11H2.
What are the key properties of 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine?
4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine has a molecular weight of 259.17 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.0]hexan-2-amine is sourced from PubChem (CID 167081568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).