N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide

C20H19N3O2S — CID 5272566

IUPACN-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C20H19N3O2S/c1-21-20(25)17(11-14-5-3-2-4-6-14)23-19(24)16-9-7-15(8-10-16)18-12-26-13-22-18/h2-10,12-13,17H,11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1
InChIKeyLZIYQLWXJWMPEG-KRWDZBQOSA-N
MW365.46 g/mol
LogP2.90
Rot. Bonds6

About N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide

N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 5272566) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
PubChem CID5272566
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C20H19N3O2S/c1-21-20(25)17(11-14-5-3-2-4-6-14)23-19(24)16-9-7-15(8-10-16)18-12-26-13-22-18/h2-10,12-13,17H,11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1
InChIKeyLZIYQLWXJWMPEG-KRWDZBQOSA-N
XLogP2.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide (CID 5272566) is N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide is CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cscn2)cc1.
What is the InChIKey of N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is LZIYQLWXJWMPEG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-21-20(25)17(11-14-5-3-2-4-6-14)23-19(24)16-9-7-15(8-10-16)18-12-26-13-22-18/h2-10,12-13,17H,11H2,1H3,(H,21,25)(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide?
N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 5272566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).