[4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone

C23H26N4O2S — CID 10432380

IUPAC[4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)c2sc(Nc3ccc(OC4CCCNC4)cc3)nc2N)c1
InChIInChI=1S/C23H26N4O2S/c1-2-15-5-3-6-16(13-15)20(28)21-22(24)27-23(30-21)26-17-8-10-18(11-9-17)29-19-7-4-12-25-14-19/h3,5-6,8-11,13,19,25H,2,4,7,12,14,24H2,1H3,(H,26,27)
InChIKeyIBIXIAHOAPMZTJ-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.39
Rot. Bonds7

About [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone

[4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone (PubChem CID 10432380) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone
PubChem CID10432380
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name[4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)c2sc(Nc3ccc(OC4CCCNC4)cc3)nc2N)c1
InChIInChI=1S/C23H26N4O2S/c1-2-15-5-3-6-16(13-15)20(28)21-22(24)27-23(30-21)26-17-8-10-18(11-9-17)29-19-7-4-12-25-14-19/h3,5-6,8-11,13,19,25H,2,4,7,12,14,24H2,1H3,(H,26,27)
InChIKeyIBIXIAHOAPMZTJ-UHFFFAOYSA-N
XLogP4.39
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone?
The IUPAC name of [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone (CID 10432380) is [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone.
What is the SMILES notation for [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone?
The canonical SMILES for [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone is CCc1cccc(C(=O)c2sc(Nc3ccc(OC4CCCNC4)cc3)nc2N)c1.
What is the InChIKey of [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone?
The InChIKey is IBIXIAHOAPMZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-2-15-5-3-6-16(13-15)20(28)21-22(24)27-23(30-21)26-17-8-10-18(11-9-17)29-19-7-4-12-25-14-19/h3,5-6,8-11,13,19,25H,2,4,7,12,14,24H2,1H3,(H,26,27).
What are the key properties of [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone?
[4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone has a molecular weight of 422.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-piperidin-3-yloxyanilino)-1,3-thiazol-5-yl]-(3-ethylphenyl)methanone is sourced from PubChem (CID 10432380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).