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

C20H16N2O2S2 — CID 44581428

IUPAC[4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(NCCc2cccs2)nc1-c1ccco1
InChIInChI=1S/C20H16N2O2S2/c23-18(14-6-2-1-3-7-14)19-17(16-9-4-12-24-16)22-20(26-19)21-11-10-15-8-5-13-25-15/h1-9,12-13H,10-11H2,(H,21,22)
InChIKeyGHMVNUPBBMBPQG-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.35
Rot. Bonds7

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

[4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 44581428) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID44581428
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name[4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(NCCc2cccs2)nc1-c1ccco1
InChIInChI=1S/C20H16N2O2S2/c23-18(14-6-2-1-3-7-14)19-17(16-9-4-12-24-16)22-20(26-19)21-11-10-15-8-5-13-25-15/h1-9,12-13H,10-11H2,(H,21,22)
InChIKeyGHMVNUPBBMBPQG-UHFFFAOYSA-N
XLogP5.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.35
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-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 44581428) is [4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1sc(NCCc2cccs2)nc1-c1ccco1.
What is the InChIKey of [4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is GHMVNUPBBMBPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c23-18(14-6-2-1-3-7-14)19-17(16-9-4-12-24-16)22-20(26-19)21-11-10-15-8-5-13-25-15/h1-9,12-13H,10-11H2,(H,21,22).
What are the key properties of [4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-(furan-2-yl)-2-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 380.49 g/mol, XLogP of 5.35, 7 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-(2-thiophen-2-ylethylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 44581428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).