(2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

C25H24N4O2S — CID 67497024

IUPAC(2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc1-c1ccncc1
InChIInChI=1S/C25H24N4O2S/c1-31-24-8-7-20(14-22(24)19-9-11-26-12-10-19)29-25(30)23(13-18-5-3-2-4-6-18)27-15-21-16-32-17-28-21/h2-12,14,16-17,23,27H,13,15H2,1H3,(H,29,30)/t23-/m0/s1
InChIKeyDPZHDDLVLCMWGA-QHCPKHFHSA-N
MW444.56 g/mol
LogP4.55
Rot. Bonds9

About (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide

(2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 67497024) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID67497024
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name(2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc1-c1ccncc1
InChIInChI=1S/C25H24N4O2S/c1-31-24-8-7-20(14-22(24)19-9-11-26-12-10-19)29-25(30)23(13-18-5-3-2-4-6-18)27-15-21-16-32-17-28-21/h2-12,14,16-17,23,27H,13,15H2,1H3,(H,29,30)/t23-/m0/s1
InChIKeyDPZHDDLVLCMWGA-QHCPKHFHSA-N
XLogP4.55
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 67497024) is (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is COc1ccc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc1-c1ccncc1.
What is the InChIKey of (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is DPZHDDLVLCMWGA-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-31-24-8-7-20(14-22(24)19-9-11-26-12-10-19)29-25(30)23(13-18-5-3-2-4-6-18)27-15-21-16-32-17-28-21/h2-12,14,16-17,23,27H,13,15H2,1H3,(H,29,30)/t23-/m0/s1.
What are the key properties of (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide?
(2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 444.56 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxy-3-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 67497024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).