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

C20H20N2OS — CID 7366238

IUPAC(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)c1ccccc1
InChIInChI=1S/C20H20N2OS/c1-3-18(15-8-5-4-6-9-15)20(23)22-17-11-7-10-16(12-17)19-13-24-14(2)21-19/h4-13,18H,3H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyBIJWVJKGNQELKC-GOSISDBHSA-N
MW336.46 g/mol
LogP5.25
Rot. Bonds5

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

(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide (PubChem CID 7366238) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
PubChem CID7366238
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)c1ccccc1
InChIInChI=1S/C20H20N2OS/c1-3-18(15-8-5-4-6-9-15)20(23)22-17-11-7-10-16(12-17)19-13-24-14(2)21-19/h4-13,18H,3H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyBIJWVJKGNQELKC-GOSISDBHSA-N
XLogP5.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
CID 43936471
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
CID 5244736
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670486
(2S)-N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670451
2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide (CID 7366238) is (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide?
The InChIKey is BIJWVJKGNQELKC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-3-18(15-8-5-4-6-9-15)20(23)22-17-11-7-10-16(12-17)19-13-24-14(2)21-19/h4-13,18H,3H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide?
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide has a molecular weight of 336.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 7366238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).