2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C18H16FN3OS — CID 26507291

IUPAC2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CNc3ccccc3F)c2)cs1
InChIInChI=1S/C18H16FN3OS/c1-12-21-17(11-24-12)13-5-4-6-14(9-13)22-18(23)10-20-16-8-3-2-7-15(16)19/h2-9,11,20H,10H2,1H3,(H,22,23)
InChIKeyLCHJBVOZVPXJNR-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.31
Rot. Bonds5

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

2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 26507291) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID26507291
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CNc3ccccc3F)c2)cs1
InChIInChI=1S/C18H16FN3OS/c1-12-21-17(11-24-12)13-5-4-6-14(9-13)22-18(23)10-20-16-8-3-2-7-15(16)19/h2-9,11,20H,10H2,1H3,(H,22,23)
InChIKeyLCHJBVOZVPXJNR-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 30927001
4-methyl-3-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896979
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26526739
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 9438736
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
CID 30858687

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 26507291) is 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)CNc3ccccc3F)c2)cs1.
What is the InChIKey of 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is LCHJBVOZVPXJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-12-21-17(11-24-12)13-5-4-6-14(9-13)22-18(23)10-20-16-8-3-2-7-15(16)19/h2-9,11,20H,10H2,1H3,(H,22,23).
What are the key properties of 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 26507291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).