2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline

C14H11FN4O2S — CID 157047054

IUPAC2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline
SMILESCOc1ncc(-c2csc(Oc3ccc(N)c(F)c3)n2)cn1
InChIInChI=1S/C14H11FN4O2S/c1-20-13-17-5-8(6-18-13)12-7-22-14(19-12)21-9-2-3-11(16)10(15)4-9/h2-7H,16H2,1H3
InChIKeyJZEZOAVVIMJNNU-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.12
Rot. Bonds4

About 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline

2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline (PubChem CID 157047054) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline.

Molecular Properties

Compound Name2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline
PubChem CID157047054
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline
SMILESCOc1ncc(-c2csc(Oc3ccc(N)c(F)c3)n2)cn1
InChIInChI=1S/C14H11FN4O2S/c1-20-13-17-5-8(6-18-13)12-7-22-14(19-12)21-9-2-3-11(16)10(15)4-9/h2-7H,16H2,1H3
InChIKeyJZEZOAVVIMJNNU-UHFFFAOYSA-N
XLogP3.12
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline
CID 164870202
4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine
CID 155410103
2-fluoro-4-methoxyaniline
CID 3756383
2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65273788
(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone
CID 112747642
4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline
CID 105362901
2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273845
ethyl 2-(4-amino-3-fluorophenoxy)-4-methylpyrimidine-5-carboxylate
CID 83180062
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 102703002
ethyl 3-[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]thiophen-2-yl]propanoate
CID 144842234

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The IUPAC name of 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline (CID 157047054) is 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline.
What is the SMILES notation for 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The canonical SMILES for 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline is COc1ncc(-c2csc(Oc3ccc(N)c(F)c3)n2)cn1.
What is the InChIKey of 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
The InChIKey is JZEZOAVVIMJNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c1-20-13-17-5-8(6-18-13)12-7-22-14(19-12)21-9-2-3-11(16)10(15)4-9/h2-7H,16H2,1H3.
What are the key properties of 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline?
2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline has a molecular weight of 318.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline is sourced from PubChem (CID 157047054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).