(4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone

C21H14FN3OS — CID 18525685

IUPAC(4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1sc(Nc2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C21H14FN3OS/c22-16-10-8-15(9-11-16)19(26)20-18(14-5-2-1-3-6-14)25-21(27-20)24-17-7-4-12-23-13-17/h1-13H,(H,24,25)
InChIKeyUNJGTTNNDMNBQR-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.32
Rot. Bonds5

About (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone

(4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 18525685) has the molecular formula C21H14FN3OS and a molecular weight of 375.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
PubChem CID18525685
Molecular FormulaC21H14FN3OS
Molecular Weight375.43 g/mol
Exact Mass375.08
IUPAC Name(4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1sc(Nc2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C21H14FN3OS/c22-16-10-8-15(9-11-16)19(26)20-18(14-5-2-1-3-6-14)25-21(27-20)24-17-7-4-12-23-13-17/h1-13H,(H,24,25)
InChIKeyUNJGTTNNDMNBQR-UHFFFAOYSA-N
XLogP5.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tak-715
CID 9952773
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 59974568
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
[4-Amino-2-(Cyclohexylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 66553067
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone (CID 18525685) is (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone is O=C(c1ccc(F)cc1)c1sc(Nc2cccnc2)nc1-c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is UNJGTTNNDMNBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3OS/c22-16-10-8-15(9-11-16)19(26)20-18(14-5-2-1-3-6-14)25-21(27-20)24-17-7-4-12-23-13-17/h1-13H,(H,24,25).
What are the key properties of (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone?
(4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 18525685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).