(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide

C25H21ClN2O2S — CID 126212541

IUPAC(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
SMILESO=C(CC[C@@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C25H21ClN2O2S/c26-20-13-11-19(12-14-20)24-23(18-9-5-2-6-10-18)28-25(31-24)27-22(30)16-15-21(29)17-7-3-1-4-8-17/h1-14,21,29H,15-16H2,(H,27,28,30)/t21-/m1/s1
InChIKeyUNHUJCFDANIFNY-OAQYLSRUSA-N
MW448.98 g/mol
LogP6.58
Rot. Bonds7

About (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide

(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide (PubChem CID 126212541) has the molecular formula C25H21ClN2O2S and a molecular weight of 448.98 g/mol. Its IUPAC name is (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
PubChem CID126212541
Molecular FormulaC25H21ClN2O2S
Molecular Weight448.98 g/mol
Exact Mass448.10
IUPAC Name(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
SMILESO=C(CC[C@@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C25H21ClN2O2S/c26-20-13-11-19(12-14-20)24-23(18-9-5-2-6-10-18)28-25(31-24)27-22(30)16-15-21(29)17-7-3-1-4-8-17/h1-14,21,29H,15-16H2,(H,27,28,30)/t21-/m1/s1
InChIKeyUNHUJCFDANIFNY-OAQYLSRUSA-N
XLogP6.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.98
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126213988
(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
1-(4-chlorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
CID 2468346
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 44994230
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
N-(1,3-benzothiazol-2-yl)-2-[2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 2158872
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272183
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 126062830
N-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 2257051

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide?
The IUPAC name of (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide (CID 126212541) is (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide.
What is the SMILES notation for (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide?
The canonical SMILES for (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide is O=C(CC[C@@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1.
What is the InChIKey of (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide?
The InChIKey is UNHUJCFDANIFNY-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H21ClN2O2S/c26-20-13-11-19(12-14-20)24-23(18-9-5-2-6-10-18)28-25(31-24)27-22(30)16-15-21(29)17-7-3-1-4-8-17/h1-14,21,29H,15-16H2,(H,27,28,30)/t21-/m1/s1.
What are the key properties of (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide?
(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide has a molecular weight of 448.98 g/mol, XLogP of 6.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 126212541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).