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

C29H19F2N5S2 — CID 139227754

IUPAC4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccccc1Nc1nc(-c2ccc(-c3cncc(-c4csc(Nc5ccccc5F)n4)c3)cc2)cs1
InChIInChI=1S/C29H19F2N5S2/c30-22-5-1-3-7-24(22)33-28-35-26(16-37-28)19-11-9-18(10-12-19)20-13-21(15-32-14-20)27-17-38-29(36-27)34-25-8-4-2-6-23(25)31/h1-17H,(H,33,35)(H,34,36)
InChIKeyBLSIGNGYDWGEHS-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.76
Rot. Bonds7

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

4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 139227754) has the molecular formula C29H19F2N5S2 and a molecular weight of 539.64 g/mol. Its IUPAC name is 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID139227754
Molecular FormulaC29H19F2N5S2
Molecular Weight539.64 g/mol
Exact Mass539.10
IUPAC Name4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccccc1Nc1nc(-c2ccc(-c3cncc(-c4csc(Nc5ccccc5F)n4)c3)cc2)cs1
InChIInChI=1S/C29H19F2N5S2/c30-22-5-1-3-7-24(22)33-28-35-26(16-37-28)19-11-9-18(10-12-19)20-13-21(15-32-14-20)27-17-38-29(36-27)34-25-8-4-2-6-23(25)31/h1-17H,(H,33,35)(H,34,36)
InChIKeyBLSIGNGYDWGEHS-UHFFFAOYSA-N
XLogP8.76
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Stf-62247
CID 704473
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-(1-(S)-Phenylethyl)amino-4-pyridinyl)thiazole
CID 10390073
N-(4-Fluorophenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 667583
4-phenyl-N-(3-pyridinyl)-2-thiazolamine
CID 697807
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
(4-(4-Fluorophenyl)(2,5-thiazolyl))-2-pyridylamine
CID 1092430
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 3157523
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 704601

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine (CID 139227754) is 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine is Fc1ccccc1Nc1nc(-c2ccc(-c3cncc(-c4csc(Nc5ccccc5F)n4)c3)cc2)cs1.
What is the InChIKey of 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is BLSIGNGYDWGEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F2N5S2/c30-22-5-1-3-7-24(22)33-28-35-26(16-37-28)19-11-9-18(10-12-19)20-13-21(15-32-14-20)27-17-38-29(36-27)34-25-8-4-2-6-23(25)31/h1-17H,(H,33,35)(H,34,36).
What are the key properties of 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine?
4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 539.64 g/mol, XLogP of 8.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 139227754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).