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

C24H22N4OS — CID 67497044

IUPAC(2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESO=C(Nc1cccc(-c2ccncc2)c1)[C@H](Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C24H22N4OS/c29-24(28-21-8-4-7-20(14-21)19-9-11-25-12-10-19)23(13-18-5-2-1-3-6-18)26-15-22-16-30-17-27-22/h1-12,14,16-17,23,26H,13,15H2,(H,28,29)/t23-/m0/s1
InChIKeyFPOTYKVBBGYCQW-QHCPKHFHSA-N
MW414.53 g/mol
LogP4.54
Rot. Bonds8

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

(2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 67497044) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID67497044
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name(2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESO=C(Nc1cccc(-c2ccncc2)c1)[C@H](Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C24H22N4OS/c29-24(28-21-8-4-7-20(14-21)19-9-11-25-12-10-19)23(13-18-5-2-1-3-6-18)26-15-22-16-30-17-27-22/h1-12,14,16-17,23,26H,13,15H2,(H,28,29)/t23-/m0/s1
InChIKeyFPOTYKVBBGYCQW-QHCPKHFHSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 51002052
N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
4-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10193998
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217683
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455685
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843
ALP-POS-95f71980-23
CID 156906398
ALP-POS-02c6a514-49
CID 156906925
N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455638
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 67497044) is (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide is O=C(Nc1cccc(-c2ccncc2)c1)[C@H](Cc1ccccc1)NCc1cscn1.
What is the InChIKey of (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is FPOTYKVBBGYCQW-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22N4OS/c29-24(28-21-8-4-7-20(14-21)19-9-11-25-12-10-19)23(13-18-5-2-1-3-6-18)26-15-22-16-30-17-27-22/h1-12,14,16-17,23,26H,13,15H2,(H,28,29)/t23-/m0/s1.
What are the key properties of (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide?
(2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 414.53 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 67497044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).