2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide

C23H26F2N4O2S — CID 175620564

IUPAC2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide
SMILESCNCCNc1cc(F)c(C(=O)Nc2nc(C(C)(COC)c3ccccc3)cs2)c(F)c1
InChIInChI=1S/C23H26F2N4O2S/c1-23(14-31-3,15-7-5-4-6-8-15)19-13-32-22(28-19)29-21(30)20-17(24)11-16(12-18(20)25)27-10-9-26-2/h4-8,11-13,26-27H,9-10,14H2,1-3H3,(H,28,29,30)
InChIKeyGETJEFALZIGQHE-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.26
Rot. Bonds10

About 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide

2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide (PubChem CID 175620564) has the molecular formula C23H26F2N4O2S and a molecular weight of 460.55 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide
PubChem CID175620564
Molecular FormulaC23H26F2N4O2S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Name2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide
SMILESCNCCNc1cc(F)c(C(=O)Nc2nc(C(C)(COC)c3ccccc3)cs2)c(F)c1
InChIInChI=1S/C23H26F2N4O2S/c1-23(14-31-3,15-7-5-4-6-8-15)19-13-32-22(28-19)29-21(30)20-17(24)11-16(12-18(20)25)27-10-9-26-2/h4-8,11-13,26-27H,9-10,14H2,1-3H3,(H,28,29,30)
InChIKeyGETJEFALZIGQHE-UHFFFAOYSA-N
XLogP4.26
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
CID 32995528
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CID 78863556
2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide
CID 175619588
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 59380913
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069389
N-[4-[1-(4-chlorophenyl)-1-cyclopropylethyl]-1,3-thiazol-2-yl]-2,6-difluoro-4-piperazin-1-ylbenzamide
CID 171407869
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrol-1-yl]acetic acid
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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-[2-(methylamino)ethylamino]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide (CID 175620564) is 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide is CNCCNc1cc(F)c(C(=O)Nc2nc(C(C)(COC)c3ccccc3)cs2)c(F)c1.
What is the InChIKey of 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide?
The InChIKey is GETJEFALZIGQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2S/c1-23(14-31-3,15-7-5-4-6-8-15)19-13-32-22(28-19)29-21(30)20-17(24)11-16(12-18(20)25)27-10-9-26-2/h4-8,11-13,26-27H,9-10,14H2,1-3H3,(H,28,29,30).
What are the key properties of 2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide?
2,6-difluoro-N-[4-(1-methoxy-2-phenylpropan-2-yl)-1,3-thiazol-2-yl]-4-[2-(methylamino)ethylamino]benzamide has a molecular weight of 460.55 g/mol, XLogP of 4.26, 10 rotatable bonds, 3 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-[2-(methylamino)ethylamino]benzamide is sourced from PubChem (CID 175620564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).