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

C11H14N2OS — CID 104806392

IUPACN-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2occc2C)n1
InChIInChI=1S/C11H14N2OS/c1-3-12-6-9-7-15-11(13-9)10-8(2)4-5-14-10/h4-5,7,12H,3,6H2,1-2H3
InChIKeyBPQNNLSYNBOUGO-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.82
Rot. Bonds4

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

N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 104806392) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID104806392
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2occc2C)n1
InChIInChI=1S/C11H14N2OS/c1-3-12-6-9-7-15-11(13-9)10-8(2)4-5-14-10/h4-5,7,12H,3,6H2,1-2H3
InChIKeyBPQNNLSYNBOUGO-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole
CID 104808022
2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 104806296
N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 165457032
N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62346325
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704
N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115652412
N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 113455509
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79980351
N-[[2-(3-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 115381103
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79976896

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 104806392) is N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(-c2occc2C)n1.
What is the InChIKey of N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is BPQNNLSYNBOUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-12-6-9-7-15-11(13-9)10-8(2)4-5-14-10/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 104806392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).