N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C11H14N2OS — CID 61282727

IUPACN-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccco2)s1
InChIInChI=1S/C11H14N2OS/c1-2-5-12-7-9-8-13-11(15-9)10-4-3-6-14-10/h3-4,6,8,12H,2,5,7H2,1H3
InChIKeyJQOBXVNYDWMJPA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.90
Rot. Bonds5

About N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 61282727) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID61282727
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccco2)s1
InChIInChI=1S/C11H14N2OS/c1-2-5-12-7-9-8-13-11(15-9)10-4-3-6-14-10/h3-4,6,8,12H,2,5,7H2,1H3
InChIKeyJQOBXVNYDWMJPA-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 61282727) is N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(-c2ccco2)s1.
What is the InChIKey of N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is JQOBXVNYDWMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-5-12-7-9-8-13-11(15-9)10-4-3-6-14-10/h3-4,6,8,12H,2,5,7H2,1H3.
What are the key properties of N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 61282727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).