N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide

C25H30N2O2S — CID 59232831

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
SMILESCOc1ccccc1C(c1ccccc1)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C25H30N2O2S/c1-24(2,3)20-16-30-23(26-20)27-22(28)25(4,5)21(17-12-8-7-9-13-17)18-14-10-11-15-19(18)29-6/h7-16,21H,1-6H3,(H,26,27,28)
InChIKeyUIQHMJURYPCWCK-UHFFFAOYSA-N
MW422.59 g/mol
LogP6.25
Rot. Bonds6

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide (PubChem CID 59232831) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
PubChem CID59232831
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
SMILESCOc1ccccc1C(c1ccccc1)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C25H30N2O2S/c1-24(2,3)20-16-30-23(26-20)27-22(28)25(4,5)21(17-12-8-7-9-13-17)18-14-10-11-15-19(18)29-6/h7-16,21H,1-6H3,(H,26,27,28)
InChIKeyUIQHMJURYPCWCK-UHFFFAOYSA-N
XLogP6.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide with MolForge

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 59232774
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 2644525
3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide
CID 87453170
(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 87453165
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232782
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
CID 86902839
CID 89275031
CID 89275031
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 59662671

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide (CID 59232831) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide is COc1ccccc1C(c1ccccc1)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The InChIKey is UIQHMJURYPCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-24(2,3)20-16-30-23(26-20)27-22(28)25(4,5)21(17-12-8-7-9-13-17)18-14-10-11-15-19(18)29-6/h7-16,21H,1-6H3,(H,26,27,28).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide has a molecular weight of 422.59 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 59232831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).