N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine

C14H16N4OS — CID 49466023

IUPACN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCCc2nccs2)o1
InChIInChI=1S/C14H16N4OS/c1-10-2-3-12(19-10)14-11(9-17-18-14)8-15-5-4-13-16-6-7-20-13/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,17,18)
InChIKeyWFWAKFDLJNVMHV-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.77
Rot. Bonds6

About N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 49466023) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID49466023
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCCc2nccs2)o1
InChIInChI=1S/C14H16N4OS/c1-10-2-3-12(19-10)14-11(9-17-18-14)8-15-5-4-13-16-6-7-20-13/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,17,18)
InChIKeyWFWAKFDLJNVMHV-UHFFFAOYSA-N
XLogP2.77
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 49466023) is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is Cc1ccc(-c2[nH]ncc2CNCCc2nccs2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is WFWAKFDLJNVMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-2-3-12(19-10)14-11(9-17-18-14)8-15-5-4-13-16-6-7-20-13/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,17,18).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 288.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 49466023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).