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

C15H12ClFN2S — CID 63182970

IUPACN-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(NC2=NC(c3ccccc3)CS2)ccc1Cl
InChIInChI=1S/C15H12ClFN2S/c16-12-7-6-11(8-13(12)17)18-15-19-14(9-20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyZQZWBCBFOQHGPR-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.74
Rot. Bonds2

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

N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63182970) has the molecular formula C15H12ClFN2S and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63182970
Molecular FormulaC15H12ClFN2S
Molecular Weight306.79 g/mol
Exact Mass306.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(NC2=NC(c3ccccc3)CS2)ccc1Cl
InChIInChI=1S/C15H12ClFN2S/c16-12-7-6-11(8-13(12)17)18-15-19-14(9-20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyZQZWBCBFOQHGPR-UHFFFAOYSA-N
XLogP4.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63182970) is N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Fc1cc(NC2=NC(c3ccccc3)CS2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZQZWBCBFOQHGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2S/c16-12-7-6-11(8-13(12)17)18-15-19-14(9-20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19).
What are the key properties of N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 306.79 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63182970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).