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

C16H19FN4O2S — CID 24805183

IUPACN-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)NC(C)(C)C)cs1
InChIInChI=1S/C16H19FN4O2S/c1-16(2,3)20-14(23)18-12-9-24-15(19-12)21(4)13(22)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H2,18,20,23)
InChIKeyZWOSPGCPAPQAJE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.48
Rot. Bonds3

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

N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (PubChem CID 24805183) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
PubChem CID24805183
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)NC(C)(C)C)cs1
InChIInChI=1S/C16H19FN4O2S/c1-16(2,3)20-14(23)18-12-9-24-15(19-12)21(4)13(22)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H2,18,20,23)
InChIKeyZWOSPGCPAPQAJE-UHFFFAOYSA-N
XLogP3.48
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide (CID 24805183) is N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)c1nc(NC(=O)NC(C)(C)C)cs1.
What is the InChIKey of N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
The InChIKey is ZWOSPGCPAPQAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-16(2,3)20-14(23)18-12-9-24-15(19-12)21(4)13(22)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H2,18,20,23).
What are the key properties of N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide?
N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 24805183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).