(2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide

C24H22N4OS — CID 67497743

IUPAC(2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide
SMILESCN(c1cscn1)[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2ccncc2)c1
InChIInChI=1S/C24H22N4OS/c1-28(23-16-30-17-26-23)22(14-18-6-3-2-4-7-18)24(29)27-21-9-5-8-20(15-21)19-10-12-25-13-11-19/h2-13,15-17,22H,14H2,1H3,(H,27,29)/t22-/m1/s1
InChIKeyIUUMXKYFEOBVJH-JOCHJYFZSA-N
MW414.53 g/mol
LogP4.89
Rot. Bonds7

About (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide

(2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide (PubChem CID 67497743) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide
PubChem CID67497743
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name(2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide
SMILESCN(c1cscn1)[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2ccncc2)c1
InChIInChI=1S/C24H22N4OS/c1-28(23-16-30-17-26-23)22(14-18-6-3-2-4-7-18)24(29)27-21-9-5-8-20(15-21)19-10-12-25-13-11-19/h2-13,15-17,22H,14H2,1H3,(H,27,29)/t22-/m1/s1
InChIKeyIUUMXKYFEOBVJH-JOCHJYFZSA-N
XLogP4.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide
CID 67497676
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamate
CID 71490875
3-[[(2S)-2-[methyl(1H-pyrazol-5-yl)amino]-3-phenylpropanoyl]amino]-5-pyridin-4-ylbenzoic acid
CID 67497092
(2S)-N-[1-ethyl-3-(2-methyl-4-pyridinyl)pyrazol-5-yl]-3-(4-fluorophenyl)-2-[methyl(1,3-thiazol-4-yl)amino]propanamide
CID 67497343
(2S)-N-(1-methyl-5-pyridin-4-ylpyrazol-3-yl)-2-[methyl(1,3-thiazol-5-yl)amino]-3-phenylpropanamide
CID 67497022
2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide
CID 176781456
2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
CID 141273620
(2S)-3-phenyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 87918344
[(2S)-3-(3,4-difluorophenyl)-1-oxo-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamic acid
CID 67497141
(2S)-2-(methylamino)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 162376820
3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide
CID 119883855
(3-phenylphenyl)carbamic acid
CID 611602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide (CID 67497743) is (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide is CN(c1cscn1)[C@H](Cc1ccccc1)C(=O)Nc1cccc(-c2ccncc2)c1.
What is the InChIKey of (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide?
The InChIKey is IUUMXKYFEOBVJH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-28(23-16-30-17-26-23)22(14-18-6-3-2-4-7-18)24(29)27-21-9-5-8-20(15-21)19-10-12-25-13-11-19/h2-13,15-17,22H,14H2,1H3,(H,27,29)/t22-/m1/s1.
What are the key properties of (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide?
(2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide has a molecular weight of 414.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide is sourced from PubChem (CID 67497743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).