2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide

C29H30N2OS — CID 59232960

IUPAC2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(c1ccccc1)c1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H30N2OS/c1-28(2,23-18-12-7-13-19-23)24-20-33-27(30-24)31-26(32)29(3,4)25(21-14-8-5-9-15-21)22-16-10-6-11-17-22/h5-20,25H,1-4H3,(H,30,31,32)
InChIKeyIQJHERGEOWOZPH-UHFFFAOYSA-N
MW454.64 g/mol
LogP7.27
Rot. Bonds7

About 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 59232960) has the molecular formula C29H30N2OS and a molecular weight of 454.64 g/mol. Its IUPAC name is 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID59232960
Molecular FormulaC29H30N2OS
Molecular Weight454.64 g/mol
Exact Mass454.21
IUPAC Name2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(c1ccccc1)c1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H30N2OS/c1-28(2,23-18-12-7-13-19-23)24-20-33-27(30-24)31-26(32)29(3,4)25(21-14-8-5-9-15-21)22-16-10-6-11-17-22/h5-20,25H,1-4H3,(H,30,31,32)
InChIKeyIQJHERGEOWOZPH-UHFFFAOYSA-N
XLogP7.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide (CID 59232960) is 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide is CC(C)(c1ccccc1)c1csc(NC(=O)C(C)(C)C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is IQJHERGEOWOZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2OS/c1-28(2,23-18-12-7-13-19-23)24-20-33-27(30-24)31-26(32)29(3,4)25(21-14-8-5-9-15-21)22-16-10-6-11-17-22/h5-20,25H,1-4H3,(H,30,31,32).
What are the key properties of 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 454.64 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 59232960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).