(2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

C25H24N4OS — CID 67497264

IUPAC(2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCc1cc(-c2cccc(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)ccn1
InChIInChI=1S/C25H24N4OS/c1-18-12-21(10-11-26-18)20-8-5-9-22(14-20)29-25(30)24(13-19-6-3-2-4-7-19)27-15-23-16-31-17-28-23/h2-12,14,16-17,24,27H,13,15H2,1H3,(H,29,30)/t24-/m0/s1
InChIKeyDIRNQNKSESHJOH-DEOSSOPVSA-N
MW428.56 g/mol
LogP4.85
Rot. Bonds8

About (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

(2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 67497264) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID67497264
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name(2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCc1cc(-c2cccc(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)ccn1
InChIInChI=1S/C25H24N4OS/c1-18-12-21(10-11-26-18)20-8-5-9-22(14-20)29-25(30)24(13-19-6-3-2-4-7-19)27-15-23-16-31-17-28-23/h2-12,14,16-17,24,27H,13,15H2,1H3,(H,29,30)/t24-/m0/s1
InChIKeyDIRNQNKSESHJOH-DEOSSOPVSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 67497264) is (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is Cc1cc(-c2cccc(NC(=O)[C@H](Cc3ccccc3)NCc3cscn3)c2)ccn1.
What is the InChIKey of (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is DIRNQNKSESHJOH-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-18-12-21(10-11-26-18)20-8-5-9-22(14-20)29-25(30)24(13-19-6-3-2-4-7-19)27-15-23-16-31-17-28-23/h2-12,14,16-17,24,27H,13,15H2,1H3,(H,29,30)/t24-/m0/s1.
What are the key properties of (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
(2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 428.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-methyl-4-pyridinyl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 67497264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).