[4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone

C22H23FN4O3S — CID 10026368

IUPAC[4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESNc1nc(Nc2ccc(OCCN3CCOCC3)cc2)sc1C(=O)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O3S/c23-16-3-1-2-15(14-16)19(28)20-21(24)26-22(31-20)25-17-4-6-18(7-5-17)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13,24H2,(H,25,26)
InChIKeyJQYOOPVLXZGSKP-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.55
Rot. Bonds8

About [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone

[4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (PubChem CID 10026368) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
PubChem CID10026368
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name[4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESNc1nc(Nc2ccc(OCCN3CCOCC3)cc2)sc1C(=O)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O3S/c23-16-3-1-2-15(14-16)19(28)20-21(24)26-22(31-20)25-17-4-6-18(7-5-17)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13,24H2,(H,25,26)
InChIKeyJQYOOPVLXZGSKP-UHFFFAOYSA-N
XLogP3.55
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (CID 10026368) is [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is Nc1nc(Nc2ccc(OCCN3CCOCC3)cc2)sc1C(=O)c1cccc(F)c1.
What is the InChIKey of [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The InChIKey is JQYOOPVLXZGSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c23-16-3-1-2-15(14-16)19(28)20-21(24)26-22(31-20)25-17-4-6-18(7-5-17)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13,24H2,(H,25,26).
What are the key properties of [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
[4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone has a molecular weight of 442.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[4-(2-morpholin-4-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 10026368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).