4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine

C9H9BrN2OS — CID 79400362

IUPAC4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESBrc1csc(NCCc2ccco2)n1
InChIInChI=1S/C9H9BrN2OS/c10-8-6-14-9(12-8)11-4-3-7-2-1-5-13-7/h1-2,5-6H,3-4H2,(H,11,12)
InChIKeyWMQLVEJESWLSAU-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.15
Rot. Bonds4

About 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine

4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 79400362) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID79400362
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESBrc1csc(NCCc2ccco2)n1
InChIInChI=1S/C9H9BrN2OS/c10-8-6-14-9(12-8)11-4-3-7-2-1-5-13-7/h1-2,5-6H,3-4H2,(H,11,12)
InChIKeyWMQLVEJESWLSAU-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80569145
N-[2-(furan-2-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133382604
N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767785
3-[(4-bromo-1,3-thiazol-2-yl)amino]propan-1-ol
CID 79399606
4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 47302221
4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 79399146
3-[2-[(4-bromo-1,3-thiazol-2-yl)amino]ethyl]benzoic acid
CID 79399210
4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 30330546
methyl 2-[2-(furan-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306858
4-bromo-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 61469654
N-(dithiophen-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43776491
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
CID 62961372

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine (CID 79400362) is 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine is Brc1csc(NCCc2ccco2)n1.
What is the InChIKey of 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is WMQLVEJESWLSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c10-8-6-14-9(12-8)11-4-3-7-2-1-5-13-7/h1-2,5-6H,3-4H2,(H,11,12).
What are the key properties of 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine?
4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 273.16 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79400362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).