2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide

C14H16FN3O2S — CID 91404954

IUPAC2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(C)(O)c1ccc(-c2nc(CC(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C14H16FN3O2S/c1-14(2,20)7-3-4-8(9(15)5-7)13-18-10(6-11(16)19)12(17)21-13/h3-5,20H,6,17H2,1-2H3,(H2,16,19)
InChIKeyOCDPTVGDRQYWBD-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.79
Rot. Bonds4

About 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide

2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 91404954) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID91404954
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(C)(O)c1ccc(-c2nc(CC(N)=O)c(N)s2)c(F)c1
InChIInChI=1S/C14H16FN3O2S/c1-14(2,20)7-3-4-8(9(15)5-7)13-18-10(6-11(16)19)12(17)21-13/h3-5,20H,6,17H2,1-2H3,(H2,16,19)
InChIKeyOCDPTVGDRQYWBD-UHFFFAOYSA-N
XLogP1.79
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 91404954) is 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide is CC(C)(O)c1ccc(-c2nc(CC(N)=O)c(N)s2)c(F)c1.
What is the InChIKey of 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is OCDPTVGDRQYWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-14(2,20)7-3-4-8(9(15)5-7)13-18-10(6-11(16)19)12(17)21-13/h3-5,20H,6,17H2,1-2H3,(H2,16,19).
What are the key properties of 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide?
2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 91404954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).