[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone

C24H24F2N4O2S — CID 10027707

IUPAC[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cc1C
InChIInChI=1S/C24H24F2N4O2S/c1-13-6-7-15(12-14(13)2)23(32)30-10-8-16(9-11-30)28-24-29-22(27)21(33-24)20(31)19-17(25)4-3-5-18(19)26/h3-7,12,16H,8-11,27H2,1-2H3,(H,28,29)
InChIKeyIYTGBCCOFFZLNZ-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.57
Rot. Bonds5

About [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone

[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 10027707) has the molecular formula C24H24F2N4O2S and a molecular weight of 470.55 g/mol. Its IUPAC name is [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
PubChem CID10027707
Molecular FormulaC24H24F2N4O2S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cc1C
InChIInChI=1S/C24H24F2N4O2S/c1-13-6-7-15(12-14(13)2)23(32)30-10-8-16(9-11-30)28-24-29-22(27)21(33-24)20(31)19-17(25)4-3-5-18(19)26/h3-7,12,16H,8-11,27H2,1-2H3,(H,28,29)
InChIKeyIYTGBCCOFFZLNZ-UHFFFAOYSA-N
XLogP4.57
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone (CID 10027707) is [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cc1C.
What is the InChIKey of [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is IYTGBCCOFFZLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2S/c1-13-6-7-15(12-14(13)2)23(32)30-10-8-16(9-11-30)28-24-29-22(27)21(33-24)20(31)19-17(25)4-3-5-18(19)26/h3-7,12,16H,8-11,27H2,1-2H3,(H,28,29).
What are the key properties of [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone has a molecular weight of 470.55 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 10027707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).