2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide

C25H30N2OS — CID 143671282

IUPAC2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide
SMILESCc1ccc(-c2ccc(C(CC(C)C)C(C)(C)C(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C25H30N2OS/c1-17(2)16-22(25(4,5)23(28)27-24-26-14-15-29-24)21-12-10-20(11-13-21)19-8-6-18(3)7-9-19/h6-15,17,22H,16H2,1-5H3,(H,26,27,28)
InChIKeyPQTJEBJSBPHUAP-UHFFFAOYSA-N
MW406.60 g/mol
LogP6.91
Rot. Bonds7

About 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide

2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide (PubChem CID 143671282) has the molecular formula C25H30N2OS and a molecular weight of 406.60 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide
PubChem CID143671282
Molecular FormulaC25H30N2OS
Molecular Weight406.60 g/mol
Exact Mass406.21
IUPAC Name2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide
SMILESCc1ccc(-c2ccc(C(CC(C)C)C(C)(C)C(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C25H30N2OS/c1-17(2)16-22(25(4,5)23(28)27-24-26-14-15-29-24)21-12-10-20(11-13-21)19-8-6-18(3)7-9-19/h6-15,17,22H,16H2,1-5H3,(H,26,27,28)
InChIKeyPQTJEBJSBPHUAP-UHFFFAOYSA-N
XLogP6.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 143671313
3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94197374
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2232967
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076
2-(4-chlorophenyl)-2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 10309071
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733088
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide (CID 143671282) is 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide is Cc1ccc(-c2ccc(C(CC(C)C)C(C)(C)C(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide?
The InChIKey is PQTJEBJSBPHUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2OS/c1-17(2)16-22(25(4,5)23(28)27-24-26-14-15-29-24)21-12-10-20(11-13-21)19-8-6-18(3)7-9-19/h6-15,17,22H,16H2,1-5H3,(H,26,27,28).
What are the key properties of 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide?
2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide has a molecular weight of 406.60 g/mol, XLogP of 6.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 143671282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).