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

C23H25FN4O2S — CID 10343194

IUPAC[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESCCN1CCCC(Oc2ccc(Nc3nc(N)c(C(=O)c4cccc(F)c4)s3)cc2)C1
InChIInChI=1S/C23H25FN4O2S/c1-2-28-12-4-7-19(14-28)30-18-10-8-17(9-11-18)26-23-27-22(25)21(31-23)20(29)15-5-3-6-16(24)13-15/h3,5-6,8-11,13,19H,2,4,7,12,14,25H2,1H3,(H,26,27)
InChIKeyGHEKTLVREQLKIT-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.70
Rot. Bonds7

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

[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (PubChem CID 10343194) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
PubChem CID10343194
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC Name[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESCCN1CCCC(Oc2ccc(Nc3nc(N)c(C(=O)c4cccc(F)c4)s3)cc2)C1
InChIInChI=1S/C23H25FN4O2S/c1-2-28-12-4-7-19(14-28)30-18-10-8-17(9-11-18)26-23-27-22(25)21(31-23)20(29)15-5-3-6-16(24)13-15/h3,5-6,8-11,13,19H,2,4,7,12,14,25H2,1H3,(H,26,27)
InChIKeyGHEKTLVREQLKIT-UHFFFAOYSA-N
XLogP4.70
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (CID 10343194) is [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is CCN1CCCC(Oc2ccc(Nc3nc(N)c(C(=O)c4cccc(F)c4)s3)cc2)C1.
What is the InChIKey of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The InChIKey is GHEKTLVREQLKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c1-2-28-12-4-7-19(14-28)30-18-10-8-17(9-11-18)26-23-27-22(25)21(31-23)20(29)15-5-3-6-16(24)13-15/h3,5-6,8-11,13,19H,2,4,7,12,14,25H2,1H3,(H,26,27).
What are the key properties of [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
[4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone has a molecular weight of 440.54 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[4-(1-ethylpiperidin-3-yl)oxyanilino]-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 10343194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).