N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide

C19H17N3O2S — CID 139370892

IUPACN-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3O2S/c1-13(20-18(24)15-10-6-3-7-11-15)17(23)22-19-21-16(12-25-19)14-8-4-2-5-9-14/h2-13H,1H3,(H,20,24)(H,21,22,23)/t13-/m0/s1
InChIKeySCKCSBWLRKZBCZ-ZDUSSCGKSA-N
MW351.43 g/mol
LogP3.57
Rot. Bonds5

About N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide

N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide (PubChem CID 139370892) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
PubChem CID139370892
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3O2S/c1-13(20-18(24)15-10-6-3-7-11-15)17(23)22-19-21-16(12-25-19)14-8-4-2-5-9-14/h2-13H,1H3,(H,20,24)(H,21,22,23)/t13-/m0/s1
InChIKeySCKCSBWLRKZBCZ-ZDUSSCGKSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide (CID 139370892) is N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide?
The InChIKey is SCKCSBWLRKZBCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13(20-18(24)15-10-6-3-7-11-15)17(23)22-19-21-16(12-25-19)14-8-4-2-5-9-14/h2-13H,1H3,(H,20,24)(H,21,22,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide?
N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 139370892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).