4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine

C16H11FN6S — CID 10268738

IUPAC4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESFc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1
InChIInChI=1S/C16H11FN6S/c17-12-4-1-3-11(7-12)14-15(23-10-19-9-20-23)24-16(22-14)21-13-5-2-6-18-8-13/h1-10H,(H,21,22)
InChIKeyLJQROZDFWHGGOF-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.67
Rot. Bonds4

About 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine

4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (PubChem CID 10268738) has the molecular formula C16H11FN6S and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
PubChem CID10268738
Molecular FormulaC16H11FN6S
Molecular Weight338.37 g/mol
Exact Mass338.07
IUPAC Name4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESFc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1
InChIInChI=1S/C16H11FN6S/c17-12-4-1-3-11(7-12)14-15(23-10-19-9-20-23)24-16(22-14)21-13-5-2-6-18-8-13/h1-10H,(H,21,22)
InChIKeyLJQROZDFWHGGOF-UHFFFAOYSA-N
XLogP3.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 162549510
5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58496115
3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile
CID 11291658
5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 134103716
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
2-(3-fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 67053867
N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 139237844
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 88887698
N-(3-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-amine
CID 146550074
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (CID 10268738) is 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is Fc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The InChIKey is LJQROZDFWHGGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6S/c17-12-4-1-3-11(7-12)14-15(23-10-19-9-20-23)24-16(22-14)21-13-5-2-6-18-8-13/h1-10H,(H,21,22).
What are the key properties of 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine has a molecular weight of 338.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10268738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).