N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide

C21H16N2O2S — CID 54774064

IUPACN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1ccco1
InChIInChI=1S/C21H16N2O2S/c24-20(19-10-5-11-25-19)22-13-15-6-4-9-17(12-15)21-23-18(14-26-21)16-7-2-1-3-8-16/h1-12,14H,13H2,(H,22,24)
InChIKeyDMSOJEUQIVADGK-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.00
Rot. Bonds5

About N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide

N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 54774064) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID54774064
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC NameN-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1ccco1
InChIInChI=1S/C21H16N2O2S/c24-20(19-10-5-11-25-19)22-13-15-6-4-9-17(12-15)21-23-18(14-26-21)16-7-2-1-3-8-16/h1-12,14H,13H2,(H,22,24)
InChIKeyDMSOJEUQIVADGK-UHFFFAOYSA-N
XLogP5.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 108761306
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
2,3,6-trichloro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108738492
3-methyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 54773936
4-nitro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774026
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
5-methyl-1-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 108738561

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide (CID 54774064) is N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1cccc(-c2nc(-c3ccccc3)cs2)c1)c1ccco1.
What is the InChIKey of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is DMSOJEUQIVADGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-20(19-10-5-11-25-19)22-13-15-6-4-9-17(12-15)21-23-18(14-26-21)16-7-2-1-3-8-16/h1-12,14H,13H2,(H,22,24).
What are the key properties of N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 54774064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).