4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine

C9H9BrN2OS — CID 79399146

IUPAC4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(CNc2nc(Br)cs2)o1
InChIInChI=1S/C9H9BrN2OS/c1-6-2-3-7(13-6)4-11-9-12-8(10)5-14-9/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyMLOARVNKHPBRBR-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.42
Rot. Bonds3

About 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine

4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79399146) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79399146
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(CNc2nc(Br)cs2)o1
InChIInChI=1S/C9H9BrN2OS/c1-6-2-3-7(13-6)4-11-9-12-8(10)5-14-9/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyMLOARVNKHPBRBR-UHFFFAOYSA-N
XLogP3.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazol-2-amine
CID 79399143
4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 79400362
1-N-(4-bromo-1,3-thiazol-2-yl)-2-methylpropane-1,2-diamine
CID 115303713
4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 54863650
4-bromo-N-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-amine
CID 79399756
4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
CID 79400625
2-chloro-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 112750238
5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine
CID 103930537
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-thiazol-2-amine
CID 107389713
4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 79399734
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine (CID 79399146) is 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine is Cc1ccc(CNc2nc(Br)cs2)o1.
What is the InChIKey of 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MLOARVNKHPBRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-6-2-3-7(13-6)4-11-9-12-8(10)5-14-9/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine?
4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 273.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79399146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).