N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide

C27H27N5O2S — CID 67497676

IUPACN,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)C(Cc2ccccc2)NCc2cscn2)cc(-c2ccncc2)c1
InChIInChI=1S/C27H27N5O2S/c1-32(2)27(34)22-13-21(20-8-10-28-11-9-20)14-23(15-22)31-26(33)25(12-19-6-4-3-5-7-19)29-16-24-17-35-18-30-24/h3-11,13-15,17-18,25,29H,12,16H2,1-2H3,(H,31,33)
InChIKeyBPZVSSIKAWMQNG-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.25
Rot. Bonds9

About N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide

N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide (PubChem CID 67497676) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide
PubChem CID67497676
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC NameN,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)C(Cc2ccccc2)NCc2cscn2)cc(-c2ccncc2)c1
InChIInChI=1S/C27H27N5O2S/c1-32(2)27(34)22-13-21(20-8-10-28-11-9-20)14-23(15-22)31-26(33)25(12-19-6-4-3-5-7-19)29-16-24-17-35-18-30-24/h3-11,13-15,17-18,25,29H,12,16H2,1-2H3,(H,31,33)
InChIKeyBPZVSSIKAWMQNG-UHFFFAOYSA-N
XLogP4.25
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-(3-pyridin-4-yl-1,2-oxazol-5-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497464
3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497942
(2S)-3-phenyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 87918344
3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497547
(2R)-2-[methyl(1,3-thiazol-4-yl)amino]-3-phenyl-N-(3-pyridin-4-ylphenyl)propanamide
CID 67497743
(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-methyl-1-[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 67497365
3-[[(2S)-2-[methyl(1H-pyrazol-5-yl)amino]-3-phenylpropanoyl]amino]-5-pyridin-4-ylbenzoic acid
CID 67497092
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)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73352401

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide?
The IUPAC name of N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide (CID 67497676) is N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide?
The canonical SMILES for N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide is CN(C)C(=O)c1cc(NC(=O)C(Cc2ccccc2)NCc2cscn2)cc(-c2ccncc2)c1.
What is the InChIKey of N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide?
The InChIKey is BPZVSSIKAWMQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-32(2)27(34)22-13-21(20-8-10-28-11-9-20)14-23(15-22)31-26(33)25(12-19-6-4-3-5-7-19)29-16-24-17-35-18-30-24/h3-11,13-15,17-18,25,29H,12,16H2,1-2H3,(H,31,33).
What are the key properties of N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide?
N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide has a molecular weight of 485.61 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 67497676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).