4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine

C14H10F3N3S — CID 87431292

IUPAC4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine
SMILESFC1=C(Nc2nc(-c3cccnc3)cs2)C=CC(F)C1F
InChIInChI=1S/C14H10F3N3S/c15-9-3-4-10(13(17)12(9)16)19-14-20-11(7-21-14)8-2-1-5-18-6-8/h1-7,9,12H,(H,19,20)
InChIKeyYZZDFSIGNZRWGS-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.04
Rot. Bonds3

About 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine

4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine (PubChem CID 87431292) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine
PubChem CID87431292
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine
SMILESFC1=C(Nc2nc(-c3cccnc3)cs2)C=CC(F)C1F
InChIInChI=1S/C14H10F3N3S/c15-9-3-4-10(13(17)12(9)16)19-14-20-11(7-21-14)8-2-1-5-18-6-8/h1-7,9,12H,(H,19,20)
InChIKeyYZZDFSIGNZRWGS-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
4-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7086340
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791198

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine (CID 87431292) is 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine is FC1=C(Nc2nc(-c3cccnc3)cs2)C=CC(F)C1F.
What is the InChIKey of 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine?
The InChIKey is YZZDFSIGNZRWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-9-3-4-10(13(17)12(9)16)19-14-20-11(7-21-14)8-2-1-5-18-6-8/h1-7,9,12H,(H,19,20).
What are the key properties of 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine?
4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine has a molecular weight of 309.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-N-(2,3,4-trifluorocyclohexa-1,5-dien-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87431292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).