1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C11H14N2OS — CID 60698178

IUPAC1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2cscn2)o1
InChIInChI=1S/C11H14N2OS/c1-8-3-4-11(14-8)9(2)12-5-10-6-15-7-13-10/h3-4,6-7,9,12H,5H2,1-2H3
InChIKeyJLCDLMNHMKORRK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.90
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 60698178) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID60698178
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2cscn2)o1
InChIInChI=1S/C11H14N2OS/c1-8-3-4-11(14-8)9(2)12-5-10-6-15-7-13-10/h3-4,6-7,9,12H,5H2,1-2H3
InChIKeyJLCDLMNHMKORRK-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

(1R)-1-(furan-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81401203
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760002
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63089651
1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 86789525
N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049931

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 60698178) is 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2cscn2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is JLCDLMNHMKORRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-3-4-11(14-8)9(2)12-5-10-6-15-7-13-10/h3-4,6-7,9,12H,5H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 60698178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).