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

C9H9FN2S — CID 2731390

IUPACN-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cccc(NC2=NCCS2)c1
InChIInChI=1S/C9H9FN2S/c10-7-2-1-3-8(6-7)12-9-11-4-5-13-9/h1-3,6H,4-5H2,(H,11,12)
InChIKeyGSJMBRRRNXLOAD-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.34
Rot. Bonds1

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

N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2731390) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2731390
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC NameN-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cccc(NC2=NCCS2)c1
InChIInChI=1S/C9H9FN2S/c10-7-2-1-3-8(6-7)12-9-11-4-5-13-9/h1-3,6H,4-5H2,(H,11,12)
InChIKeyGSJMBRRRNXLOAD-UHFFFAOYSA-N
XLogP2.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2731390) is N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Fc1cccc(NC2=NCCS2)c1.
What is the InChIKey of N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GSJMBRRRNXLOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c10-7-2-1-3-8(6-7)12-9-11-4-5-13-9/h1-3,6H,4-5H2,(H,11,12).
What are the key properties of N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 196.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2731390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).