N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide

C21H16N2O2S — CID 4046990

IUPACN-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)o1
InChIInChI=1S/C21H16N2O2S/c1-14-7-12-19(25-14)18-13-26-21(22-18)23-20(24)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23,24)
InChIKeyUVTLQYLBIYMCDX-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.63
Rot. Bonds4

About N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide

N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide (PubChem CID 4046990) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide
PubChem CID4046990
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC NameN-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)o1
InChIInChI=1S/C21H16N2O2S/c1-14-7-12-19(25-14)18-13-26-21(22-18)23-20(24)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23,24)
InChIKeyUVTLQYLBIYMCDX-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide (CID 4046990) is N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide is Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)o1.
What is the InChIKey of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The InChIKey is UVTLQYLBIYMCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-14-7-12-19(25-14)18-13-26-21(22-18)23-20(24)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23,24).
What are the key properties of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 4046990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).