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

C11H11BrN2OS — CID 104653522

IUPACN-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(-c2csc(CNC3CC3)n2)o1
InChIInChI=1S/C11H11BrN2OS/c12-10-4-3-9(15-10)8-6-16-11(14-8)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2
InChIKeyUDNAOHWKACGXFG-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.42
Rot. Bonds4

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

N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 104653522) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID104653522
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC NameN-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(-c2csc(CNC3CC3)n2)o1
InChIInChI=1S/C11H11BrN2OS/c12-10-4-3-9(15-10)8-6-16-11(14-8)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2
InChIKeyUDNAOHWKACGXFG-UHFFFAOYSA-N
XLogP3.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]aniline
CID 104653544
N-[[4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62543539
N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 104654150
N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 116965296
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62431152
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62412429
N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
CID 66339547
N-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544012
4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
CID 113437726
4-(5-bromofuran-2-yl)-2-(2-bromophenyl)-1,3-thiazole
CID 104654186
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 82831557
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61282037

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 104653522) is N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is Brc1ccc(-c2csc(CNC3CC3)n2)o1.
What is the InChIKey of N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is UDNAOHWKACGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-10-4-3-9(15-10)8-6-16-11(14-8)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2.
What are the key properties of N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 299.19 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104653522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).