4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine

C23H15F2N5S2 — CID 139227747

IUPAC4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1cccc(Nc2nc(-c3cncc(-c4csc(Nc5cccc(F)c5)n4)c3)cs2)c1
InChIInChI=1S/C23H15F2N5S2/c24-16-3-1-5-18(8-16)27-22-29-20(12-31-22)14-7-15(11-26-10-14)21-13-32-23(30-21)28-19-6-2-4-17(25)9-19/h1-13H,(H,27,29)(H,28,30)
InChIKeyLPUHNFUZCYOSRR-UHFFFAOYSA-N
MW463.54 g/mol
LogP7.09
Rot. Bonds6

About 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine

4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 139227747) has the molecular formula C23H15F2N5S2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID139227747
Molecular FormulaC23H15F2N5S2
Molecular Weight463.54 g/mol
Exact Mass463.07
IUPAC Name4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1cccc(Nc2nc(-c3cncc(-c4csc(Nc5cccc(F)c5)n4)c3)cs2)c1
InChIInChI=1S/C23H15F2N5S2/c24-16-3-1-5-18(8-16)27-22-29-20(12-31-22)14-7-15(11-26-10-14)21-13-32-23(30-21)28-19-6-2-4-17(25)9-19/h1-13H,(H,27,29)(H,28,30)
InChIKeyLPUHNFUZCYOSRR-UHFFFAOYSA-N
XLogP7.09
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

Stf-62247
CID 704473
Timegadine
CID 68902
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
1,3-Benzothiazol-2-amine, 6-fluoro-N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 7086352
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
Aminothiazole 8
CID 5329390

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine (CID 139227747) is 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine is Fc1cccc(Nc2nc(-c3cncc(-c4csc(Nc5cccc(F)c5)n4)c3)cs2)c1.
What is the InChIKey of 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is LPUHNFUZCYOSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5S2/c24-16-3-1-5-18(8-16)27-22-29-20(12-31-22)14-7-15(11-26-10-14)21-13-32-23(30-21)28-19-6-2-4-17(25)9-19/h1-13H,(H,27,29)(H,28,30).
What are the key properties of 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine?
4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 463.54 g/mol, XLogP of 7.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 139227747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).