(5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine

C8H7BrN2OS — CID 130855940

IUPAC(5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine
SMILESNC(c1coc(Br)c1)c1ccns1
InChIInChI=1S/C8H7BrN2OS/c9-7-3-5(4-12-7)8(10)6-1-2-11-13-6/h1-4,8H,10H2
InChIKeyMGADXWBLFIZNPS-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.55
Rot. Bonds2

About (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine

(5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine (PubChem CID 130855940) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine
PubChem CID130855940
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name(5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine
SMILESNC(c1coc(Br)c1)c1ccns1
InChIInChI=1S/C8H7BrN2OS/c9-7-3-5(4-12-7)8(10)6-1-2-11-13-6/h1-4,8H,10H2
InChIKeyMGADXWBLFIZNPS-UHFFFAOYSA-N
XLogP2.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130747012
(2-chlorofuran-3-yl)-(1,2-thiazol-5-yl)methanamine
CID 131015361
(4-methylthiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
CID 131015174
(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
CID 130914169
1-(5-bromofuran-3-yl)-2-methylprop-2-en-1-ol
CID 130748377
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
CID 115799285
2-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)ethanamine
CID 130871307
2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid
CID 82415692
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
1,2-thiazol-5-ylmethylhydrazine
CID 130826284

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine (CID 130855940) is (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine is NC(c1coc(Br)c1)c1ccns1.
What is the InChIKey of (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine?
The InChIKey is MGADXWBLFIZNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c9-7-3-5(4-12-7)8(10)6-1-2-11-13-6/h1-4,8H,10H2.
What are the key properties of (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine?
(5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine has a molecular weight of 259.13 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 130855940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).