N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

C14H16N4OS — CID 63242527

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCn1ccnc1C(NCCc1nccs1)c1ccco1
InChIInChI=1S/C14H16N4OS/c1-18-8-6-17-14(18)13(11-3-2-9-19-11)16-5-4-12-15-7-10-20-12/h2-3,6-10,13,16H,4-5H2,1H3
InChIKeyVAEJXWKFIVLJLB-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.39
Rot. Bonds6

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63242527) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID63242527
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCn1ccnc1C(NCCc1nccs1)c1ccco1
InChIInChI=1S/C14H16N4OS/c1-18-8-6-17-14(18)13(11-3-2-9-19-11)16-5-4-12-15-7-10-20-12/h2-3,6-10,13,16H,4-5H2,1H3
InChIKeyVAEJXWKFIVLJLB-UHFFFAOYSA-N
XLogP2.39
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 63242527) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is Cn1ccnc1C(NCCc1nccs1)c1ccco1.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is VAEJXWKFIVLJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-18-8-6-17-14(18)13(11-3-2-9-19-11)16-5-4-12-15-7-10-20-12/h2-3,6-10,13,16H,4-5H2,1H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 288.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63242527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).