N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine

C16H16FN3S — CID 68629514

IUPACN-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cccc(C(CNC2=NCCS2)c2ccncc2)c1
InChIInChI=1S/C16H16FN3S/c17-14-3-1-2-13(10-14)15(12-4-6-18-7-5-12)11-20-16-19-8-9-21-16/h1-7,10,15H,8-9,11H2,(H,19,20)
InChIKeyKZZKWGJNRZSWNC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 68629514) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID68629514
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC NameN-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cccc(C(CNC2=NCCS2)c2ccncc2)c1
InChIInChI=1S/C16H16FN3S/c17-14-3-1-2-13(10-14)15(12-4-6-18-7-5-12)11-20-16-19-8-9-21-16/h1-7,10,15H,8-9,11H2,(H,19,20)
InChIKeyKZZKWGJNRZSWNC-UHFFFAOYSA-N
XLogP3.05
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 68629514) is N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine is Fc1cccc(C(CNC2=NCCS2)c2ccncc2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KZZKWGJNRZSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c17-14-3-1-2-13(10-14)15(12-4-6-18-7-5-12)11-20-16-19-8-9-21-16/h1-7,10,15H,8-9,11H2,(H,19,20).
What are the key properties of N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 301.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 68629514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).