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

C17H20FN3O2S — CID 24805185

IUPACN-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)CC(C)(C)C)cs1
InChIInChI=1S/C17H20FN3O2S/c1-17(2,3)9-14(22)19-13-10-24-16(20-13)21(4)15(23)11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,22)
InChIKeyGYSQKRUDBZNZQH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.93
Rot. Bonds4

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

N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (PubChem CID 24805185) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
PubChem CID24805185
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)CC(C)(C)C)cs1
InChIInChI=1S/C17H20FN3O2S/c1-17(2,3)9-14(22)19-13-10-24-16(20-13)21(4)15(23)11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,22)
InChIKeyGYSQKRUDBZNZQH-UHFFFAOYSA-N
XLogP3.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (CID 24805185) is N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)CC(C)(C)C)cs1.
What is the InChIKey of N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The InChIKey is GYSQKRUDBZNZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-17(2,3)9-14(22)19-13-10-24-16(20-13)21(4)15(23)11-5-7-12(18)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,22).
What are the key properties of N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 24805185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).