N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide

C20H19FN2O3S — CID 1138516

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C20H19FN2O3S/c1-4-23(19(24)13-5-7-14(21)8-6-13)20-22-17(12-27-20)16-11-15(25-2)9-10-18(16)26-3/h5-12H,4H2,1-3H3
InChIKeyKPNRZEHLXLYZLN-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.63
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide (PubChem CID 1138516) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide
PubChem CID1138516
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C20H19FN2O3S/c1-4-23(19(24)13-5-7-14(21)8-6-13)20-22-17(12-27-20)16-11-15(25-2)9-10-18(16)26-3/h5-12H,4H2,1-3H3
InChIKeyKPNRZEHLXLYZLN-UHFFFAOYSA-N
XLogP4.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylcyclopropanecarboxamide
CID 861950
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)pyridine-4-carboxamide
CID 1138551
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1172758
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
3-[acetyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7124348
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1138644
N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide;hydrochloride
CID 171667855
4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 861947
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
CID 171700082
N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3172978
N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138529

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide (CID 1138516) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide is CCN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide?
The InChIKey is KPNRZEHLXLYZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-4-23(19(24)13-5-7-14(21)8-6-13)20-22-17(12-27-20)16-11-15(25-2)9-10-18(16)26-3/h5-12H,4H2,1-3H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide has a molecular weight of 386.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 1138516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).