[2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone

C26H20N2O3S — CID 25211166

IUPAC[2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(N(Cc2ccccc2)Cc2ccco2)nc1-c1ccco1
InChIInChI=1S/C26H20N2O3S/c29-24(20-11-5-2-6-12-20)25-23(22-14-8-16-31-22)27-26(32-25)28(18-21-13-7-15-30-21)17-19-9-3-1-4-10-19/h1-16H,17-18H2
InChIKeyUXTNNVIYBQKXOL-UHFFFAOYSA-N
MW440.52 g/mol
LogP6.43
Rot. Bonds8

About [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone

[2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 25211166) has the molecular formula C26H20N2O3S and a molecular weight of 440.52 g/mol. Its IUPAC name is [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID25211166
Molecular FormulaC26H20N2O3S
Molecular Weight440.52 g/mol
Exact Mass440.12
IUPAC Name[2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(N(Cc2ccccc2)Cc2ccco2)nc1-c1ccco1
InChIInChI=1S/C26H20N2O3S/c29-24(20-11-5-2-6-12-20)25-23(22-14-8-16-31-22)27-26(32-25)28(18-21-13-7-15-30-21)17-19-9-3-1-4-10-19/h1-16H,17-18H2
InChIKeyUXTNNVIYBQKXOL-UHFFFAOYSA-N
XLogP6.43
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone (CID 25211166) is [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1sc(N(Cc2ccccc2)Cc2ccco2)nc1-c1ccco1.
What is the InChIKey of [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is UXTNNVIYBQKXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3S/c29-24(20-11-5-2-6-12-20)25-23(22-14-8-16-31-22)27-26(32-25)28(18-21-13-7-15-30-21)17-19-9-3-1-4-10-19/h1-16H,17-18H2.
What are the key properties of [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone?
[2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 440.52 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(furan-2-ylmethyl)amino]-4-(furan-2-yl)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 25211166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).