N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide

C15H18FN3O2S — CID 167316533

IUPACN-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)Cc1csc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C15H18FN3O2S/c1-9(20)19-15(2,3)7-10-8-22-14(18-10)21-11-4-5-13(17)12(16)6-11/h4-6,8H,7,17H2,1-3H3,(H,19,20)
InChIKeyOOJPNIHQLKJHMV-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.11
Rot. Bonds5

About N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide

N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide (PubChem CID 167316533) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide
PubChem CID167316533
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)Cc1csc(Oc2ccc(N)c(F)c2)n1
InChIInChI=1S/C15H18FN3O2S/c1-9(20)19-15(2,3)7-10-8-22-14(18-10)21-11-4-5-13(17)12(16)6-11/h4-6,8H,7,17H2,1-3H3,(H,19,20)
InChIKeyOOJPNIHQLKJHMV-UHFFFAOYSA-N
XLogP3.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide?
The IUPAC name of N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide (CID 167316533) is N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide is CC(=O)NC(C)(C)Cc1csc(Oc2ccc(N)c(F)c2)n1.
What is the InChIKey of N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide?
The InChIKey is OOJPNIHQLKJHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-9(20)19-15(2,3)7-10-8-22-14(18-10)21-11-4-5-13(17)12(16)6-11/h4-6,8H,7,17H2,1-3H3,(H,19,20).
What are the key properties of N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide?
N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide has a molecular weight of 323.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 167316533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).