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

C18H16N2O3S — CID 134033866

IUPAC1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESc1coc(CN(Cc2csc(-c3ccco3)n2)Cc2ccco2)c1
InChIInChI=1S/C18H16N2O3S/c1-4-15(21-7-1)11-20(12-16-5-2-8-22-16)10-14-13-24-18(19-14)17-6-3-9-23-17/h1-9,13H,10-12H2
InChIKeyDDWCTZPXQYDBMR-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.79
Rot. Bonds7

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

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 134033866) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID134033866
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESc1coc(CN(Cc2csc(-c3ccco3)n2)Cc2ccco2)c1
InChIInChI=1S/C18H16N2O3S/c1-4-15(21-7-1)11-20(12-16-5-2-8-22-16)10-14-13-24-18(19-14)17-6-3-9-23-17/h1-9,13H,10-12H2
InChIKeyDDWCTZPXQYDBMR-UHFFFAOYSA-N
XLogP4.79
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 18103357
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol
CID 78964237
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
CID 134033862
4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
CID 111488713
2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 102676857
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 60833022
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62461571

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (CID 134033866) is 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is c1coc(CN(Cc2csc(-c3ccco3)n2)Cc2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is DDWCTZPXQYDBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-4-15(21-7-1)11-20(12-16-5-2-8-22-16)10-14-13-24-18(19-14)17-6-3-9-23-17/h1-9,13H,10-12H2.
What are the key properties of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 340.40 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 134033866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).