3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine

C11H13ClN2OS — CID 115089135

IUPAC3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1csc(-c2ccc(Cl)o2)n1
InChIInChI=1S/C11H13ClN2OS/c1-13-6-2-3-8-7-16-11(14-8)9-4-5-10(12)15-9/h4-5,7,13H,2-3,6H2,1H3
InChIKeyRLLLZLKKFFSBPZ-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.21
Rot. Bonds5

About 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine

3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine (PubChem CID 115089135) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
PubChem CID115089135
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1csc(-c2ccc(Cl)o2)n1
InChIInChI=1S/C11H13ClN2OS/c1-13-6-2-3-8-7-16-11(14-8)9-4-5-10(12)15-9/h4-5,7,13H,2-3,6H2,1H3
InChIKeyRLLLZLKKFFSBPZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089115
3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089134
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089119
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531
1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089071
3-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 106689598
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
N-methyl-3-[2-(thian-4-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115087886
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine (CID 115089135) is 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine is CNCCCc1csc(-c2ccc(Cl)o2)n1.
What is the InChIKey of 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is RLLLZLKKFFSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-13-6-2-3-8-7-16-11(14-8)9-4-5-10(12)15-9/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine?
3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 256.76 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 115089135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).