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

C20H20N2OS — CID 7366669

IUPAC(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2OS/c1-3-18(15-7-5-4-6-8-15)20(23)22-17-11-9-16(10-12-17)19-13-24-14(2)21-19/h4-13,18H,3H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyPIHMBQLOAGWUJZ-SFHVURJKSA-N
MW336.46 g/mol
LogP5.25
Rot. Bonds5

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

(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide (PubChem CID 7366669) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
PubChem CID7366669
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2OS/c1-3-18(15-7-5-4-6-8-15)20(23)22-17-11-9-16(10-12-17)19-13-24-14(2)21-19/h4-13,18H,3H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyPIHMBQLOAGWUJZ-SFHVURJKSA-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

(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 40538784
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenylbutanamide
CID 90602825
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
N-[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide
CID 18568502
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide (CID 7366669) is (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide?
The InChIKey is PIHMBQLOAGWUJZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-3-18(15-7-5-4-6-8-15)20(23)22-17-11-9-16(10-12-17)19-13-24-14(2)21-19/h4-13,18H,3H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide?
(2S)-N-[4-(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 (2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 7366669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).