N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide

C23H27N3OS — CID 8750316

IUPACN-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CCc1ccc(-c2csc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C23H27N3OS/c1-17(25-18(2)27)8-9-20-10-12-21(13-11-20)22-16-28-23(26-22)24-15-14-19-6-4-3-5-7-19/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,24,26)(H,25,27)/t17-/m1/s1
InChIKeyMZJDWHDBTSUCSQ-QGZVFWFLSA-N
MW393.56 g/mol
LogP4.92
Rot. Bonds9

About N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide

N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (PubChem CID 8750316) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
PubChem CID8750316
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)CCc1ccc(-c2csc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C23H27N3OS/c1-17(25-18(2)27)8-9-20-10-12-21(13-11-20)22-16-28-23(26-22)24-15-14-19-6-4-3-5-7-19/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,24,26)(H,25,27)/t17-/m1/s1
InChIKeyMZJDWHDBTSUCSQ-QGZVFWFLSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 42896369
N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 9173902
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 9174080
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
N-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 40819927
N-[2-[4-[2-[(2-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343109
N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 95142326
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (CID 8750316) is N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is CC(=O)N[C@H](C)CCc1ccc(-c2csc(NCCc3ccccc3)n2)cc1.
What is the InChIKey of N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The InChIKey is MZJDWHDBTSUCSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-17(25-18(2)27)8-9-20-10-12-21(13-11-20)22-16-28-23(26-22)24-15-14-19-6-4-3-5-7-19/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,24,26)(H,25,27)/t17-/m1/s1.
What are the key properties of N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide has a molecular weight of 393.56 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 8750316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).