N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine

C10H9FN2S — CID 91208899

IUPACN-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine
SMILESFc1ccc(CNc2cncs2)cc1
InChIInChI=1S/C10H9FN2S/c11-9-3-1-8(2-4-9)5-13-10-6-12-7-14-10/h1-4,6-7,13H,5H2
InChIKeyINDAOEDVTHRQPM-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.89
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine

N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine (PubChem CID 91208899) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine
PubChem CID91208899
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC NameN-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine
SMILESFc1ccc(CNc2cncs2)cc1
InChIInChI=1S/C10H9FN2S/c11-9-3-1-8(2-4-9)5-13-10-6-12-7-14-10/h1-4,6-7,13H,5H2
InChIKeyINDAOEDVTHRQPM-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine (CID 91208899) is N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine is Fc1ccc(CNc2cncs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine?
The InChIKey is INDAOEDVTHRQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c11-9-3-1-8(2-4-9)5-13-10-6-12-7-14-10/h1-4,6-7,13H,5H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine?
N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine has a molecular weight of 208.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 91208899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).