2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide

C24H26F2N4O2S — CID 171407374

IUPAC2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
SMILESCOCC(C)(c1ccccc1)c1csc(NC(=O)c2c(F)cc(N3CCNCC3)cc2F)n1
InChIInChI=1S/C24H26F2N4O2S/c1-24(15-32-2,16-6-4-3-5-7-16)20-14-33-23(28-20)29-22(31)21-18(25)12-17(13-19(21)26)30-10-8-27-9-11-30/h3-7,12-14,27H,8-11,15H2,1-2H3,(H,28,29,31)
InChIKeyBAZBRTKNHCXOFM-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.04
Rot. Bonds7

About 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide

2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide (PubChem CID 171407374) has the molecular formula C24H26F2N4O2S and a molecular weight of 472.56 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
PubChem CID171407374
Molecular FormulaC24H26F2N4O2S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
SMILESCOCC(C)(c1ccccc1)c1csc(NC(=O)c2c(F)cc(N3CCNCC3)cc2F)n1
InChIInChI=1S/C24H26F2N4O2S/c1-24(15-32-2,16-6-4-3-5-7-16)20-14-33-23(28-20)29-22(31)21-18(25)12-17(13-19(21)26)30-10-8-27-9-11-30/h3-7,12-14,27H,8-11,15H2,1-2H3,(H,28,29,31)
InChIKeyBAZBRTKNHCXOFM-UHFFFAOYSA-N
XLogP4.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide?
The IUPAC name of 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide (CID 171407374) is 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide is COCC(C)(c1ccccc1)c1csc(NC(=O)c2c(F)cc(N3CCNCC3)cc2F)n1.
What is the InChIKey of 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide?
The InChIKey is BAZBRTKNHCXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2S/c1-24(15-32-2,16-6-4-3-5-7-16)20-14-33-23(28-20)29-22(31)21-18(25)12-17(13-19(21)26)30-10-8-27-9-11-30/h3-7,12-14,27H,8-11,15H2,1-2H3,(H,28,29,31).
What are the key properties of 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide?
2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide has a molecular weight of 472.56 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 171407374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).