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

C15H11FN4OS — CID 54587238

IUPAC[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
SMILESNc1nc(Nc2ccncc2)sc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11FN4OS/c16-10-3-1-9(2-4-10)12(21)13-14(17)20-15(22-13)19-11-5-7-18-8-6-11/h1-8H,17H2,(H,18,19,20)
InChIKeyYTFZRCFWKAXGJK-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.23
Rot. Bonds4

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

[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone (PubChem CID 54587238) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
PubChem CID54587238
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC Name[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
SMILESNc1nc(Nc2ccncc2)sc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11FN4OS/c16-10-3-1-9(2-4-10)12(21)13-14(17)20-15(22-13)19-11-5-7-18-8-6-11/h1-8H,17H2,(H,18,19,20)
InChIKeyYTFZRCFWKAXGJK-UHFFFAOYSA-N
XLogP3.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone (CID 54587238) is [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone is Nc1nc(Nc2ccncc2)sc1C(=O)c1ccc(F)cc1.
What is the InChIKey of [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is YTFZRCFWKAXGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-10-3-1-9(2-4-10)12(21)13-14(17)20-15(22-13)19-11-5-7-18-8-6-11/h1-8H,17H2,(H,18,19,20).
What are the key properties of [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
[4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 314.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(pyridin-4-ylamino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 54587238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).