2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine

C10H9FN2S — CID 83107881

IUPAC2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
SMILESCc1sc(-c2cccc(F)c2)nc1N
InChIInChI=1S/C10H9FN2S/c1-6-9(12)13-10(14-6)7-3-2-4-8(11)5-7/h2-5H,12H2,1H3
InChIKeyLIOUQJOYZMVIJI-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.84
Rot. Bonds1

About 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine

2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine (PubChem CID 83107881) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
PubChem CID83107881
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
SMILESCc1sc(-c2cccc(F)c2)nc1N
InChIInChI=1S/C10H9FN2S/c1-6-9(12)13-10(14-6)7-3-2-4-8(11)5-7/h2-5H,12H2,1H3
InChIKeyLIOUQJOYZMVIJI-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 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine (CID 83107881) is 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine is Cc1sc(-c2cccc(F)c2)nc1N.
What is the InChIKey of 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine?
The InChIKey is LIOUQJOYZMVIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-6-9(12)13-10(14-6)7-3-2-4-8(11)5-7/h2-5H,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine?
2-(3-fluorophenyl)-5-methyl-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 2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 83107881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).