3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide

C22H20N6OS — CID 67497942

IUPAC3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESO=C(Nc1nccc(-c2ccncc2)n1)C(Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C22H20N6OS/c29-21(28-22-24-11-8-19(27-22)17-6-9-23-10-7-17)20(12-16-4-2-1-3-5-16)25-13-18-14-30-15-26-18/h1-11,14-15,20,25H,12-13H2,(H,24,27,28,29)
InChIKeyFZAQPNUIZQNXKM-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.33
Rot. Bonds8

About 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide

3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide (PubChem CID 67497942) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
PubChem CID67497942
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
SMILESO=C(Nc1nccc(-c2ccncc2)n1)C(Cc1ccccc1)NCc1cscn1
InChIInChI=1S/C22H20N6OS/c29-21(28-22-24-11-8-19(27-22)17-6-9-23-10-7-17)20(12-16-4-2-1-3-5-16)25-13-18-14-30-15-26-18/h1-11,14-15,20,25H,12-13H2,(H,24,27,28,29)
InChIKeyFZAQPNUIZQNXKM-UHFFFAOYSA-N
XLogP3.33
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497547
(2S)-3-phenyl-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497464
(2S)-3-phenyl-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497281
(2S)-3-phenyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 87918344
(3S)-4-phenyl-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)-3-(1,3-thiazol-4-ylmethylamino)butan-2-one
CID 162056146
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-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine
CID 159341126
N-(3-penta-1,3-dien-2-yl-1,2-oxazol-5-yl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 91484912
(2S)-3-phenyl-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 72945162
(2S)-3-(4-fluorophenyl)-N-[5-[2-(methylamino)-4-pyridinyl]-1H-pyrazol-3-yl]-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67496883
(2S)-3-(4-fluorophenyl)-N-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-2-(1,3-thiazol-4-ylmethylamino)propanamide;dihydrochloride
CID 67496745
3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 63261586

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The IUPAC name of 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide (CID 67497942) is 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The canonical SMILES for 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide is O=C(Nc1nccc(-c2ccncc2)n1)C(Cc1ccccc1)NCc1cscn1.
What is the InChIKey of 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide?
The InChIKey is FZAQPNUIZQNXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c29-21(28-22-24-11-8-19(27-22)17-6-9-23-10-7-17)20(12-16-4-2-1-3-5-16)25-13-18-14-30-15-26-18/h1-11,14-15,20,25H,12-13H2,(H,24,27,28,29).
What are the key properties of 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide?
3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide has a molecular weight of 416.51 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 67497942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).