N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine

C8H7BrN2OS — CID 106885398

IUPACN-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESBrc1ccoc1CNc1nccs1
InChIInChI=1S/C8H7BrN2OS/c9-6-1-3-12-7(6)5-11-8-10-2-4-13-8/h1-4H,5H2,(H,10,11)
InChIKeyXGNBMICRXZDRIR-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.11
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine

N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 106885398) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID106885398
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESBrc1ccoc1CNc1nccs1
InChIInChI=1S/C8H7BrN2OS/c9-6-1-3-12-7(6)5-11-8-10-2-4-13-8/h1-4H,5H2,(H,10,11)
InChIKeyXGNBMICRXZDRIR-UHFFFAOYSA-N
XLogP3.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine (CID 106885398) is N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine is Brc1ccoc1CNc1nccs1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is XGNBMICRXZDRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c9-6-1-3-12-7(6)5-11-8-10-2-4-13-8/h1-4H,5H2,(H,10,11).
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine?
N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 259.13 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 106885398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).