5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine

C10H9FN2S — CID 70951177

IUPAC5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine
SMILESCc1ccc(F)c(-c2scnc2N)c1
InChIInChI=1S/C10H9FN2S/c1-6-2-3-8(11)7(4-6)9-10(12)13-5-14-9/h2-5H,12H2,1H3
InChIKeySQCHIRGBXGXKLW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.84
Rot. Bonds1

About 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine

5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine (PubChem CID 70951177) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine
PubChem CID70951177
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine
SMILESCc1ccc(F)c(-c2scnc2N)c1
InChIInChI=1S/C10H9FN2S/c1-6-2-3-8(11)7(4-6)9-10(12)13-5-14-9/h2-5H,12H2,1H3
InChIKeySQCHIRGBXGXKLW-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine (CID 70951177) is 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine is Cc1ccc(F)c(-c2scnc2N)c1.
What is the InChIKey of 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine?
The InChIKey is SQCHIRGBXGXKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-6-2-3-8(11)7(4-6)9-10(12)13-5-14-9/h2-5H,12H2,1H3.
What are the key properties of 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine?
5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine has a molecular weight of 208.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 70951177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).