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

C17H20FN3O2S — CID 24802701

IUPACN-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)C(C)(C)C)c1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2S/c1-17(2,3)15(23)20(4)13-10-24-16(19-13)21(5)14(22)11-6-8-12(18)9-7-11/h6-10H,1-5H3
InChIKeyRQQMHQNEXVUKEC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.57
Rot. Bonds3

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

N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (PubChem CID 24802701) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
PubChem CID24802701
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)C(C)(C)C)c1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2S/c1-17(2,3)15(23)20(4)13-10-24-16(19-13)21(5)14(22)11-6-8-12(18)9-7-11/h6-10H,1-5H3
InChIKeyRQQMHQNEXVUKEC-UHFFFAOYSA-N
XLogP3.57
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (CID 24802701) is N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is CN(C(=O)C(C)(C)C)c1csc(N(C)C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The InChIKey is RQQMHQNEXVUKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-17(2,3)15(23)20(4)13-10-24-16(19-13)21(5)14(22)11-6-8-12(18)9-7-11/h6-10H,1-5H3.
What are the key properties of N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 24802701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).