(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide

C22H24N2OS — CID 7924768

IUPAC(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)C[C@H](C)c3ccccc3)n2)cc1C
InChIInChI=1S/C22H24N2OS/c1-14-10-17(4)19(11-15(14)2)20-13-26-22(23-20)24-21(25)12-16(3)18-8-6-5-7-9-18/h5-11,13,16H,12H2,1-4H3,(H,23,24,25)/t16-/m0/s1
InChIKeyYKVMBFKMCRAASW-INIZCTEOSA-N
MW364.51 g/mol
LogP5.87
Rot. Bonds5

About (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide

(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 7924768) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID7924768
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)C[C@H](C)c3ccccc3)n2)cc1C
InChIInChI=1S/C22H24N2OS/c1-14-10-17(4)19(11-15(14)2)20-13-26-22(23-20)24-21(25)12-16(3)18-8-6-5-7-9-18/h5-11,13,16H,12H2,1-4H3,(H,23,24,25)/t16-/m0/s1
InChIKeyYKVMBFKMCRAASW-INIZCTEOSA-N
XLogP5.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8871898
2-(4-bromophenyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4673905
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821
methyl 2-[2-[[(3S)-3-phenylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38987354
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227676
4-oxo-3-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]phthalazine-1-carboxylic acid
CID 16539232
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
2-(benzenesulfonamido)-4-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 55341118
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate
CID 16504388
(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 2039739
2-(trifluoromethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4857176

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide (CID 7924768) is (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide is Cc1cc(C)c(-c2csc(NC(=O)C[C@H](C)c3ccccc3)n2)cc1C.
What is the InChIKey of (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is YKVMBFKMCRAASW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-14-10-17(4)19(11-15(14)2)20-13-26-22(23-20)24-21(25)12-16(3)18-8-6-5-7-9-18/h5-11,13,16H,12H2,1-4H3,(H,23,24,25)/t16-/m0/s1.
What are the key properties of (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?
(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 364.51 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 7924768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).