3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C21H15FN2O2S — CID 1374209

IUPAC3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H15FN2O2S/c22-17-9-4-8-16(12-17)20(25)24(13-18-10-5-11-26-18)21-23-19(14-27-21)15-6-2-1-3-7-15/h1-12,14H,13H2
InChIKeyUQLHQSLIONWRPQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.39
Rot. Bonds5

About 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 1374209) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID1374209
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Name3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H15FN2O2S/c22-17-9-4-8-16(12-17)20(25)24(13-18-10-5-11-26-18)21-23-19(14-27-21)15-6-2-1-3-7-15/h1-12,14H,13H2
InChIKeyUQLHQSLIONWRPQ-UHFFFAOYSA-N
XLogP5.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139482
N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1139483
4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 1176073
N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139470
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 1176076
N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1139478
N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)propanamide
CID 3189701
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 1176022
5-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 6486849
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 1374209) is 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(c1cccc(F)c1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is UQLHQSLIONWRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c22-17-9-4-8-16(12-17)20(25)24(13-18-10-5-11-26-18)21-23-19(14-27-21)15-6-2-1-3-7-15/h1-12,14H,13H2.
What are the key properties of 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(furan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1374209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).