1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine

C11H13BrN2OS — CID 100611604

IUPAC1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(Br)o2)c(C)s1
InChIInChI=1S/C11H13BrN2OS/c1-7-10(14-8(2)16-7)6-13-5-9-3-4-11(12)15-9/h3-4,13H,5-6H2,1-2H3
InChIKeyWFVFMEZVSFWUEE-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.41
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine

1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 100611604) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID100611604
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(Br)o2)c(C)s1
InChIInChI=1S/C11H13BrN2OS/c1-7-10(14-8(2)16-7)6-13-5-9-3-4-11(12)15-9/h3-4,13H,5-6H2,1-2H3
InChIKeyWFVFMEZVSFWUEE-UHFFFAOYSA-N
XLogP3.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61192981
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115774643
N-[(5-bromofuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103527173
1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732596
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine
CID 115877032
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882116
N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62369252
N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 43181214
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine
CID 115888092
N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712167
N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
CID 78911310

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine (CID 100611604) is 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCc2ccc(Br)o2)c(C)s1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is WFVFMEZVSFWUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-7-10(14-8(2)16-7)6-13-5-9-3-4-11(12)15-9/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 301.21 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 100611604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).