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

C9H9FN2S — CID 69441997

IUPAC4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(c2ccc(F)cc2)CS1
InChIInChI=1S/C9H9FN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)
InChIKeyMFTCANQDSYXYGH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.93
Rot. Bonds1

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

4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 69441997) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID69441997
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(c2ccc(F)cc2)CS1
InChIInChI=1S/C9H9FN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)
InChIKeyMFTCANQDSYXYGH-UHFFFAOYSA-N
XLogP1.93
TPSA38.38 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 69441997) is 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is NC1=NC(c2ccc(F)cc2)CS1.
What is the InChIKey of 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MFTCANQDSYXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12).
What are the key properties of 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 196.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 69441997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).