N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide

C16H18FN3O2S — CID 24805020

IUPACN-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)C(C)(C)C)cs1
InChIInChI=1S/C16H18FN3O2S/c1-16(2,3)14(22)18-12-9-23-15(19-12)20(4)13(21)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H,18,22)
InChIKeyVZYRYUKLMNJCFT-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.54
Rot. Bonds3

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

N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (PubChem CID 24805020) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
PubChem CID24805020
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC NameN-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)C(C)(C)C)cs1
InChIInChI=1S/C16H18FN3O2S/c1-16(2,3)14(22)18-12-9-23-15(19-12)20(4)13(21)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H,18,22)
InChIKeyVZYRYUKLMNJCFT-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (CID 24805020) is N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)C(C)(C)C)cs1.
What is the InChIKey of N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The InChIKey is VZYRYUKLMNJCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-16(2,3)14(22)18-12-9-23-15(19-12)20(4)13(21)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H,18,22).
What are the key properties of N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide has a molecular weight of 335.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 24805020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).