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

C16H17FN2O2S — CID 24805014

IUPAC4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)CC(=O)c1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2O2S/c1-10(2)8-14(20)13-9-22-16(18-13)19(3)15(21)11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyFLTOYHFGCWJIOM-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.79
Rot. Bonds5

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

4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 24805014) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide
PubChem CID24805014
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)CC(=O)c1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2O2S/c1-10(2)8-14(20)13-9-22-16(18-13)19(3)15(21)11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyFLTOYHFGCWJIOM-UHFFFAOYSA-N
XLogP3.79
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide
CID 24803039
4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide
CID 24805186
4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 16661886
4-fluoro-N-methyl-N-[4-[6-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16660294
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1172758
[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate
CID 16659653
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 110723514
2-(1-aminoethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66388955
4-fluoro-N-methyl-N-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16659975

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide (CID 24805014) is 4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide is CC(C)CC(=O)c1csc(N(C)C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is FLTOYHFGCWJIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-10(2)8-14(20)13-9-22-16(18-13)19(3)15(21)11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 3.79, 5 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-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24805014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).