N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C11H14N2OS — CID 63091781

IUPACN-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2ccoc2)n1
InChIInChI=1S/C11H14N2OS/c1-8-7-15-11(13-8)9(2)12-5-10-3-4-14-6-10/h3-4,6-7,9,12H,5H2,1-2H3
InChIKeyZYVNVFSRFIRVBG-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.90
Rot. Bonds4

About N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 63091781) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID63091781
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2ccoc2)n1
InChIInChI=1S/C11H14N2OS/c1-8-7-15-11(13-8)9(2)12-5-10-3-4-14-6-10/h3-4,6-7,9,12H,5H2,1-2H3
InChIKeyZYVNVFSRFIRVBG-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

N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624873
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115693156
N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115711445
N-(furan-3-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 115903409
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79427265
N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63719201
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
CID 66386414
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091780
2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63090176

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 63091781) is N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(C)NCc2ccoc2)n1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZYVNVFSRFIRVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-7-15-11(13-8)9(2)12-5-10-3-4-14-6-10/h3-4,6-7,9,12H,5H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)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 N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63091781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).