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

C13H19N3OS — CID 62462365

IUPACN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN(C)Cc2ccoc2)cs1
InChIInChI=1S/C13H19N3OS/c1-3-14-6-13-15-12(10-18-13)8-16(2)7-11-4-5-17-9-11/h4-5,9-10,14H,3,6-8H2,1-2H3
InChIKeyAEODAUOMWVPMQQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.48
Rot. Bonds7

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

N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62462365) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62462365
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN(C)Cc2ccoc2)cs1
InChIInChI=1S/C13H19N3OS/c1-3-14-6-13-15-12(10-18-13)8-16(2)7-11-4-5-17-9-11/h4-5,9-10,14H,3,6-8H2,1-2H3
InChIKeyAEODAUOMWVPMQQ-UHFFFAOYSA-N
XLogP2.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62462542
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62412254
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413591
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 65488457
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419199
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62411292
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
CID 62428476

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 62462365) is N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(CN(C)Cc2ccoc2)cs1.
What is the InChIKey of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is AEODAUOMWVPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-14-6-13-15-12(10-18-13)8-16(2)7-11-4-5-17-9-11/h4-5,9-10,14H,3,6-8H2,1-2H3.
What are the key properties of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62462365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).