[4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone

C19H14N2O3S — CID 25211167

IUPAC[4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(NCc2ccco2)nc1-c1ccco1
InChIInChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21)
InChIKeyLLLDLOJFFPPLKI-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.84
Rot. Bonds6

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

[4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 25211167) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID25211167
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name[4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(NCc2ccco2)nc1-c1ccco1
InChIInChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21)
InChIKeyLLLDLOJFFPPLKI-UHFFFAOYSA-N
XLogP4.84
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 25211167) is [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1sc(NCc2ccco2)nc1-c1ccco1.
What is the InChIKey of [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is LLLDLOJFFPPLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21).
What are the key properties of [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 350.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 25211167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).