(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide

C25H23N3OS — CID 23646352

IUPAC(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(-c2ccc(Cc3ccccc3)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C25H23N3OS/c1-17(26)24(29)28-25-27-22(23(30-25)21-10-6-3-7-11-21)20-14-12-19(13-15-20)16-18-8-4-2-5-9-18/h2-15,17H,16,26H2,1H3,(H,27,28,29)/t17-/m0/s1
InChIKeyNOAPVKQSSCRBKE-KRWDZBQOSA-N
MW413.55 g/mol
LogP5.35
Rot. Bonds6

About (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide

(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide (PubChem CID 23646352) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
PubChem CID23646352
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(-c2ccc(Cc3ccccc3)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C25H23N3OS/c1-17(26)24(29)28-25-27-22(23(30-25)21-10-6-3-7-11-21)20-14-12-19(13-15-20)16-18-8-4-2-5-9-18/h2-15,17H,16,26H2,1H3,(H,27,28,29)/t17-/m0/s1
InChIKeyNOAPVKQSSCRBKE-KRWDZBQOSA-N
XLogP5.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide (CID 23646352) is (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide is C[C@H](N)C(=O)Nc1nc(-c2ccc(Cc3ccccc3)cc2)c(-c2ccccc2)s1.
What is the InChIKey of (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is NOAPVKQSSCRBKE-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-17(26)24(29)28-25-27-22(23(30-25)21-10-6-3-7-11-21)20-14-12-19(13-15-20)16-18-8-4-2-5-9-18/h2-15,17H,16,26H2,1H3,(H,27,28,29)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide?
(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 413.55 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23646352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).