N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide

C28H28N2OS — CID 4123314

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H28N2OS/c1-28(2,3)23-16-14-22(15-17-23)25-19-32-27(29-25)30-26(31)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,19,24H,18H2,1-3H3,(H,29,30,31)
InChIKeyYACGOJNYKWVWAJ-UHFFFAOYSA-N
MW440.61 g/mol
LogP7.27
Rot. Bonds6

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide (PubChem CID 4123314) has the molecular formula C28H28N2OS and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
PubChem CID4123314
Molecular FormulaC28H28N2OS
Molecular Weight440.61 g/mol
Exact Mass440.19
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H28N2OS/c1-28(2,3)23-16-14-22(15-17-23)25-19-32-27(29-25)30-26(31)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,19,24H,18H2,1-3H3,(H,29,30,31)
InChIKeyYACGOJNYKWVWAJ-UHFFFAOYSA-N
XLogP7.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide (CID 4123314) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide is CC(C)(C)c1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The InChIKey is YACGOJNYKWVWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2OS/c1-28(2,3)23-16-14-22(15-17-23)25-19-32-27(29-25)30-26(31)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,19,24H,18H2,1-3H3,(H,29,30,31).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide has a molecular weight of 440.61 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 4123314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).