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

C16H18FN3O2S — CID 24802702

IUPAC4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)C(=O)N(C)c1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O2S/c1-10(2)14(21)19(3)13-9-23-16(18-13)20(4)15(22)11-5-7-12(17)8-6-11/h5-10H,1-4H3
InChIKeyWLTMOKJUXLCJHG-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.18
Rot. Bonds4

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

4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide (PubChem CID 24802702) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide
PubChem CID24802702
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)C(=O)N(C)c1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O2S/c1-10(2)14(21)19(3)13-9-23-16(18-13)20(4)15(22)11-5-7-12(17)8-6-11/h5-10H,1-4H3
InChIKeyWLTMOKJUXLCJHG-UHFFFAOYSA-N
XLogP3.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide (CID 24802702) is 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide is CC(C)C(=O)N(C)c1csc(N(C)C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide?
The InChIKey is WLTMOKJUXLCJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-10(2)14(21)19(3)13-9-23-16(18-13)20(4)15(22)11-5-7-12(17)8-6-11/h5-10H,1-4H3.
What are the key properties of 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide has a molecular weight of 335.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24802702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).