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

C14H15FN2OS — CID 110472495

IUPAC3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCc1csc(C(C)(C)NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2OS/c1-9-8-19-13(16-9)14(2,3)17-12(18)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,17,18)
InChIKeyXRUPLBJVMPUCRI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.26
Rot. Bonds3

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

3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide (PubChem CID 110472495) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide
PubChem CID110472495
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCc1csc(C(C)(C)NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2OS/c1-9-8-19-13(16-9)14(2,3)17-12(18)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,17,18)
InChIKeyXRUPLBJVMPUCRI-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide (CID 110472495) is 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide is Cc1csc(C(C)(C)NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide?
The InChIKey is XRUPLBJVMPUCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-9-8-19-13(16-9)14(2,3)17-12(18)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,17,18).
What are the key properties of 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide?
3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 110472495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).