(2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

C19H19N3OS — CID 70693016

IUPAC(2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESO=C(Nc1ccccc1)[C@H](Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C19H19N3OS/c23-19(22-16-9-5-2-6-10-16)18(11-15-7-3-1-4-8-15)20-12-17-13-24-14-21-17/h1-10,13-14,18,20H,11-12H2,(H,22,23)/t18-/m0/s1
InChIKeyYYIYZMYILJFGBX-SFHVURJKSA-N
MW337.45 g/mol
LogP3.48
Rot. Bonds7

About (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

(2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 70693016) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID70693016
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESO=C(Nc1ccccc1)[C@H](Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C19H19N3OS/c23-19(22-16-9-5-2-6-10-16)18(11-15-7-3-1-4-8-15)20-12-17-13-24-14-21-17/h1-10,13-14,18,20H,11-12H2,(H,22,23)/t18-/m0/s1
InChIKeyYYIYZMYILJFGBX-SFHVURJKSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 70693016) is (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NCc1cscn1.
What is the InChIKey of (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is YYIYZMYILJFGBX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(22-16-9-5-2-6-10-16)18(11-15-7-3-1-4-8-15)20-12-17-13-24-14-21-17/h1-10,13-14,18,20H,11-12H2,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
(2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 337.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,3-diphenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 70693016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).