[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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Related Compounds

Sipagladenant
CID 23144148
A1/A3 AR antagonist 2
CID 162673862
Bis(furan-2-yl)-1,3-thiazol-2-amine
CID 2428993
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
(4-(Furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 15950360
(2-(3,4-Difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 16050635
(2-(Benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 25211166
(4-(Furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone
CID 44581364
(4-(Furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone
CID 44581365
(4-(Furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-yl)(phenyl)methanone
CID 44581366
N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide
CID 44581368

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).