2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide

C19H16FN3O2S — CID 8533912

IUPAC2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)CNC(=O)c3ccccc3F)cc2)cs1
InChIInChI=1S/C19H16FN3O2S/c1-12-22-17(11-26-12)13-6-8-14(9-7-13)23-18(24)10-21-19(25)15-4-2-3-5-16(15)20/h2-9,11H,10H2,1H3,(H,21,25)(H,23,24)
InChIKeyNXBPNJZQWIZUEA-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.63
Rot. Bonds5

About 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide (PubChem CID 8533912) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
PubChem CID8533912
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)CNC(=O)c3ccccc3F)cc2)cs1
InChIInChI=1S/C19H16FN3O2S/c1-12-22-17(11-26-12)13-6-8-14(9-7-13)23-18(24)10-21-19(25)15-4-2-3-5-16(15)20/h2-9,11H,10H2,1H3,(H,21,25)(H,23,24)
InChIKeyNXBPNJZQWIZUEA-UHFFFAOYSA-N
XLogP3.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide
CID 28865020
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533935
2-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534010
5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534184
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide (CID 8533912) is 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide is Cc1nc(-c2ccc(NC(=O)CNC(=O)c3ccccc3F)cc2)cs1.
What is the InChIKey of 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
The InChIKey is NXBPNJZQWIZUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-12-22-17(11-26-12)13-6-8-14(9-7-13)23-18(24)10-21-19(25)15-4-2-3-5-16(15)20/h2-9,11H,10H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 8533912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).