N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C19H18FN3O3S — CID 38489499

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(F)c3)s2)o1
InChIInChI=1S/C19H18FN3O3S/c1-11-7-8-15(26-11)18-21-12(2)17(27-18)19(25)23(3)10-16(24)22-14-6-4-5-13(20)9-14/h4-9H,10H2,1-3H3,(H,22,24)
InChIKeyMXUPHZOSQOBPJK-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.87
Rot. Bonds5

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 38489499) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID38489499
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(F)c3)s2)o1
InChIInChI=1S/C19H18FN3O3S/c1-11-7-8-15(26-11)18-21-12(2)17(27-18)19(25)23(3)10-16(24)22-14-6-4-5-13(20)9-14/h4-9H,10H2,1-3H3,(H,22,24)
InChIKeyMXUPHZOSQOBPJK-UHFFFAOYSA-N
XLogP3.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558
4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 38488519
N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38582896
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46563409
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38404531
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 33290955
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 78771511

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 38489499) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(F)c3)s2)o1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MXUPHZOSQOBPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-11-7-8-15(26-11)18-21-12(2)17(27-18)19(25)23(3)10-16(24)22-14-6-4-5-13(20)9-14/h4-9H,10H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38489499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).