(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide

C20H19ClN2OS — CID 58033052

IUPAC(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1
InChIInChI=1S/C20H19ClN2OS/c1-2-18(15-8-4-3-5-9-15)19(24)23-20-22-13-17(25-20)12-14-7-6-10-16(21)11-14/h3-11,13,18H,2,12H2,1H3,(H,22,23,24)/t18-/m0/s1
InChIKeyHPSVAFHDMZRZKO-SFHVURJKSA-N
MW370.91 g/mol
LogP5.52
Rot. Bonds6

About (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide

(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide (PubChem CID 58033052) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
PubChem CID58033052
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1
InChIInChI=1S/C20H19ClN2OS/c1-2-18(15-8-4-3-5-9-15)19(24)23-20-22-13-17(25-20)12-14-7-6-10-16(21)11-14/h3-11,13,18H,2,12H2,1H3,(H,22,23,24)/t18-/m0/s1
InChIKeyHPSVAFHDMZRZKO-SFHVURJKSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 43045656
2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 4969220
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488302
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
(E)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-phenylprop-2-enamide
CID 1180772
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)propanamide
CID 46693319
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 90603621
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide (CID 58033052) is (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1.
What is the InChIKey of (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide?
The InChIKey is HPSVAFHDMZRZKO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-2-18(15-8-4-3-5-9-15)19(24)23-20-22-13-17(25-20)12-14-7-6-10-16(21)11-14/h3-11,13,18H,2,12H2,1H3,(H,22,23,24)/t18-/m0/s1.
What are the key properties of (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide?
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide has a molecular weight of 370.91 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 58033052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).