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

C21H20N2O3S — CID 18103357

IUPAC1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCOc1cccc(-c2nc(CN(Cc3ccco3)Cc3ccco3)cs2)c1
InChIInChI=1S/C21H20N2O3S/c1-24-18-6-2-5-16(11-18)21-22-17(15-27-21)12-23(13-19-7-3-9-25-19)14-20-8-4-10-26-20/h2-11,15H,12-14H2,1H3
InChIKeyAVIXKMFCZUZAJK-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.21
Rot. Bonds8

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

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 18103357) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID18103357
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCOc1cccc(-c2nc(CN(Cc3ccco3)Cc3ccco3)cs2)c1
InChIInChI=1S/C21H20N2O3S/c1-24-18-6-2-5-16(11-18)21-22-17(15-27-21)12-23(13-19-7-3-9-25-19)14-20-8-4-10-26-20/h2-11,15H,12-14H2,1H3
InChIKeyAVIXKMFCZUZAJK-UHFFFAOYSA-N
XLogP5.21
TPSA51.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 51302404
1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
CID 39985173
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526912
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 46559524
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 51073854
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
(2R)-3-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinazolin-4-one
CID 40954308
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
CID 52772137

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine (CID 18103357) is 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine is COc1cccc(-c2nc(CN(Cc3ccco3)Cc3ccco3)cs2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is AVIXKMFCZUZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-24-18-6-2-5-16(11-18)21-22-17(15-27-21)12-23(13-19-7-3-9-25-19)14-20-8-4-10-26-20/h2-11,15H,12-14H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 380.47 g/mol, XLogP of 5.21, 8 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-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 18103357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).