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

C23H20N2O2S — CID 44581429

IUPAC[4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(NCCCc2ccccc2)nc1-c1ccco1
InChIInChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25)
InChIKeyVZEXLUMZSFKUJP-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.68
Rot. Bonds8

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

[4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 44581429) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID44581429
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name[4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(NCCCc2ccccc2)nc1-c1ccco1
InChIInChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25)
InChIKeyVZEXLUMZSFKUJP-UHFFFAOYSA-N
XLogP5.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 44581429) is [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1sc(NCCCc2ccccc2)nc1-c1ccco1.
What is the InChIKey of [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is VZEXLUMZSFKUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25).
What are the key properties of [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 388.49 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2-(3-phenylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 44581429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).